Diethylpropion hydrochloride (CED0009490)

Record Information

Version

1.0

Creation Date

2016-05-22 06:21:44 UTC

Update Date

2026-04-05 17:40:16 UTC

Accession Number

CHEM019641

Identification

Common Name

Diethylpropion hydrochloride

Class

Small Molecule

Description

Diethylpropion hydrochloride is an organic compound with the chemical formula C13H20ClNO and an average molecular weight of 241.76 g/mol. Diethylpropion hydrochloride belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is associated with 12 recorded sources. Within the building and construction sector, it is found in or released from ceilings, fencing, floors, ladders, and roofs, among four other sources. Additionally, it is identified in electrical and electronic equipment, specifically in antennas, amplifiers, and adjustable resistors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(Diethylamino)-1-phenylpropan-1-one hydrochloride	ChEBI
2-(Diethylamino)propiophenone hydrochloride	ChEBI
alpha-Benzoyltriethylamine hydrochloride	ChEBI
alpha-Benzoyltriethylammonium chloride	ChEBI
Amfepramone HCL	ChEBI
Amfepramone hydrochloride	ChEBI
Amphepramonum hydrochloride	ChEBI
Diethylpropion HCL	ChEBI
Tenuate	ChEBI
a-Benzoyltriethylamine hydrochloride	Generator
Α-benzoyltriethylamine hydrochloride	Generator
a-Benzoyltriethylammonium chloride	Generator
Α-benzoyltriethylammonium chloride	Generator
Tenuic acid	Generator
Artegodan brand OF amfepramone hydrochloride	MeSH
Investigacion farmaceutica brand OF amfepramone hydrochloride	MeSH
Tepanil	MeSH
Uriach brand OF amfepramone hydrochloride	MeSH
dexo Brand OF amfepramone hydrochloride	MeSH
Dietil-retard	MeSH
Ifa norex	MeSH
Marion merrell brand OF amfepramone hydrochloride	MeSH
Maruate	MeSH
Nadeau brand OF amfepramone hydrochloride	MeSH
Neobes	MeSH
Phepranon	MeSH
pro DOC Brand OF amfepramone hydrochloride	MeSH
Regenon	MeSH
Amfepramon	MeSH
Amfepramone	MeSH
Crinex brand OF amfepramone hydrochloride	MeSH
Delgamer	MeSH
Dietil retard	MeSH
Hoechst brand OF amfepramone hydrochloride	MeSH
Hydrochloride, diethylpropion	MeSH
Marion merrell dow brand OF amfepramone hydrochloride	MeSH
Modératan	MeSH
Nobesine	MeSH
Norex, ifa	MeSH
Temmler brand OF amfepramone hydrochloride	MeSH
2-Diethylaminopropiophenone	MeSH
3m Brand OF amfepramone hydrochloride	MeSH
Anorex	MeSH
Diethylpropion	MeSH
Dietilretard	MeSH
Lipomin	MeSH
Medic brand OF amfepramone hydrochloride	MeSH
Medix brand OF amfepramone hydrochloride	MeSH
Propion	MeSH
Préfamone	MeSH
Regibon	MeSH
Théranol brand OF amfepramone hydrochloride	MeSH
Vortech brand OF amfepramone hydrochloride	MeSH

Chemical Formula

C₁₃H₂₀ClNO

Average Molecular Mass

241.757 g/mol

Monoisotopic Mass

241.123 g/mol

CAS Registry Number

134-80-5

IUPAC Name

2-(diethylamino)-1-phenylpropan-1-one hydrochloride

Traditional Name

diethylpropion hydrochloride

SMILES

Cl.CCN(CC)C(C)C(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H

InChI Key

ICFXZZFWRWNZMA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alkyl-phenylketones

Alternative Parents

Substituents

Alkyl-phenylketone
Phenylpropane
Benzoyl
Aryl alkyl ketone
Monocyclic benzene moiety
Benzenoid
Alpha-aminoketone
Tertiary amine
Tertiary aliphatic amine
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organic oxide
Organopnictogen compound
Amine
Hydrochloride
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

hydrochloride (CHEBI:643703 )

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

Property	Value	Source
Water Solubility	1.22 g/L	ALOGPS
logP	2.8	ALOGPS
logP	2.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	17.43	ChemAxon
pKa (Strongest Basic)	7.44	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	20.31 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	63.88 m³·mol⁻¹	ChemAxon
Polarizability	23.96 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-3d768855e3432fdd8bc7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-3d768855e3432fdd8bc7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-3d768855e3432fdd8bc7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-62f8532037995c08df53	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-62f8532037995c08df53	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-62f8532037995c08df53	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
231.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
498	Ladders	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
501	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
502	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Protein-glutamine gamma-glutamyltransferase	Q7M0F8	Cavia porcellus	Predicted (SEA)	1.16774
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	407.696
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	234.793
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	234.871
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	165.352
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	162.938
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	1030.33
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	229.967
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	423.111
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	309.451
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	118.409
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	22.4984
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	1560.72
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	391.893
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	185.826
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	15.492
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	0.622794
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	749.688
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	741.747
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	756.072
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	118.954
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	131.721
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	719.872
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	84.3886
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	33.3973