1-(2,4-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol (CED0103358)

Record Information

Version

1.0

Creation Date

2026-08-19 07:38:20 UTC

Update Date

2026-08-19 07:38:20 UTC

SynCED ID

CED0103358

Secondary Accession Numbers

CHEM181304

Identification

Common Name

1-(2,4-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol

Class

Small Molecule

Description

1-(2,4-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol is an organic compound with the formula C14H24N2O and an average molecular weight of 236.35 g/mol. 1-(2,4-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound is found in or released from one recorded source: electrical and electronic equipment, specifically video games.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₂₄N₂O

Average Molecular Mass

236.350 g/mol

Monoisotopic Mass

236.189 g/mol

CAS Registry Number

20013-91-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C14H24N2O/c1-10(2)15-8-13(17)9-16-14-6-5-11(3)7-12(14)4/h5-7,10,13,15-17H,8-9H2,1-4H3

InChI Key

PPUIITGCHQYTHL-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
559.0 Log mg/kg [310:990]	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
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
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000620	Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.	Recreation & sports surfaces	PubChem
CEDs000622	Game Accessories?Game accessories, such as synthetic turf, athletic shoes, and other sports-related equipment, often incorporate various synthetic chemicals in their production.	Recreation & sports surfaces	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	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
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	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
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	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.395 Applicability Domain 0.467 Statistical Significance 9.20e-04 Supporting Reference Compounds 48 E-value 7.16213
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.388 Applicability Domain 0.467 Statistical Significance 6.90e-04 Supporting Reference Compounds 37 E-value 5.3716
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.467 Statistical Significance 3.40e-04 Supporting Reference Compounds 16 E-value 2.64687
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 42	Q7RTR8	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 41	P59536	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 7	Q9NYW3	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 30	P59541	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 60	P59551	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 19	P59542	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 20	P59543	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 1	Q9NYW7	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 40	P59535	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 3	Q9NYW6	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 13	Q9NYV9	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 39	P59534	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 5	Q9NYW4	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 9	Q9NYW1	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Taste receptor type 2 member 43	P59537	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.364 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.364 Statistical Significance 0.0051 Supporting Reference Compounds 258 E-value 39.3917
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.364 Statistical Significance 0.0035 Supporting Reference Compounds 180 E-value 27.4029
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.386 Statistical Significance 0.0226 Supporting Reference Compounds 541 E-value 176.328
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.364 Statistical Significance 8.70e-04 Supporting Reference Compounds 43 E-value 6.77288
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.364 Statistical Significance 0.0025 Supporting Reference Compounds 145 E-value 19.5402