4-(4-amino-3-ethylphenyl)-2-ethylaniline (CED0253629)

Record Information

Version

1.0

Creation Date

2026-08-28 19:29:07 UTC

Update Date

2026-08-28 19:29:07 UTC

SynCED ID

CED0253629

Secondary Accession Numbers

CHEM298304

Identification

Common Name

4-(4-amino-3-ethylphenyl)-2-ethylaniline

Class

Small Molecule

Description

4-(4-amino-3-ethylphenyl)-2-ethylaniline is an organic compound with the chemical formula C16H20N2 and an average molecular weight of 240.34 g/mol. 4-(4-amino-3-ethylphenyl)-2-ethylaniline belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance is classified within the superclass of benzenoids. It has been identified in or released from two recorded sources, specifically electrical and electronic equipment such as coils and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀N₂

Average Molecular Mass

Not Available

Monoisotopic Mass

240.163 g/mol

CAS Registry Number

76787-87-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)CC)N

InChI Identifier

InChI=1S/C16H20N2/c1-3-11-9-13(5-7-15(11)17)14-6-8-16(18)12(4-2)10-14/h5-10H,3-4,17-18H2,1-2H3

InChI Key

VLZIZQRHZJOXDM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
729.0 Log mg/kg [410:1300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Multidrug and toxin extrusion protein 1	Q8K0H1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.282 Low confidence Statistical Significance 7.00e-04 Supporting Reference Compounds 1 E-value 5.44945
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.282 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 156 E-value 82.8316
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.282 Low confidence Statistical Significance 0.0078 Supporting Reference Compounds 92 E-value 60.5667
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.354 Statistical Significance 0.4086 Supporting Reference Compounds 1538 E-value 3180.92
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.354 Statistical Significance 0.2473 Supporting Reference Compounds 927 E-value 1925.37
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.273 Low confidence Statistical Significance 0.1064 Supporting Reference Compounds 372 E-value 828.16
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.273 Low confidence Statistical Significance 0.1353 Supporting Reference Compounds 472 E-value 1053.38
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.273 Low confidence Statistical Significance 0.1113 Supporting Reference Compounds 407 E-value 866.54
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0219 Supporting Reference Compounds 64 E-value 170.178
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0665 Supporting Reference Compounds 242 E-value 517.542
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 40 E-value 64.2256
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0959 Supporting Reference Compounds 332 E-value 746.73
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 38 E-value 71.3099
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0157 Supporting Reference Compounds 46 E-value 121.912
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 43 E-value 64.537
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0165 Supporting Reference Compounds 60 E-value 128.607
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0345 Supporting Reference Compounds 151 E-value 268.969
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 34 E-value 59.0097
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 41 E-value 64.2256
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0503 Supporting Reference Compounds 172 E-value 391.426
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.02 Supporting Reference Compounds 68 E-value 155.932
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 41 E-value 64.537
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0206 Supporting Reference Compounds 78 E-value 160.058
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0164 Supporting Reference Compounds 55 E-value 128.062
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.043 Supporting Reference Compounds 193 E-value 334.518