EcoDrugPlus


Synonyms	.alpha.-benzoyltriethylamine Amfepramone Anfepramone Anferpramon C06954 D07444 Diethylcathinone Diethylpropion J4.327C
Status
Molecule Category	Free-form
UNII	Q94YYU22B8
EPA CompTox	DTXSID6022929

Synonyms

.alpha.-benzoyltriethylamine

Amfepramone

Anfepramone

Anferpramon

C06954

D07444

Diethylcathinone

Diethylpropion

J4.327C

Status

Molecule Category

Free-form

UNII

Q94YYU22B8

EPA CompTox

DTXSID6022929


InChI Key	XXEPPPIWZFICOJ-UHFFFAOYSA-N
Smiles	CCN(CC)C(C)C(=O)c1ccccc1
InChI	InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3

InChI Key

XXEPPPIWZFICOJ-UHFFFAOYSA-N

Smiles

CCN(CC)C(C)C(=O)c1ccccc1

InChI

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

Property Name	Value
Molecular Formula	C13H19NO
Molecular Weight	205.3
AlogP	2.6
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	20.31
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H19NO

Molecular Weight

205.3

AlogP

2.6

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

20.31

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

15.0

Resources	Reference
ChEBI	4530
ChEMBL	CHEMBL1194666
DrugBank	DB00937
DrugCentral	874
FDA SRS	Q94YYU22B8
Human Metabolome Database	HMDB0015072
Guide to Pharmacology	7161
KEGG	C06954
PharmGKB	PA164778098
SureChEMBL	SCHEMBL27330

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015072

Guide to Pharmacology

KEGG

PharmGKB

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

DIETHYLPROPION

Structure

Physicochemical Descriptors

Cross References