EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	WEK9FVT37G
EPA CompTox	DTXSID50973230

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

WEK9FVT37G

EPA CompTox

DTXSID50973230


InChI Key	LWSDQRSJVPCQRC-UHFFFAOYSA-N
Smiles	Cl.C=1C=CC(=CC1)C2=CN(C=3C=CC=CC23)N(C)CCN(C)C
InChI	InChI=1/C19H23N3.ClH/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22;/h4-12,15H,13-14H2,1-3H3;1H

InChI Key

LWSDQRSJVPCQRC-UHFFFAOYSA-N

Smiles

Cl.C=1C=CC(=CC1)C2=CN(C=3C=CC=CC23)N(C)CCN(C)C

InChI

InChI=1/C19H23N3.ClH/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22;/h4-12,15H,13-14H2,1-3H3;1H

Property Name	Value
Molecular Formula	C19H23N3
Molecular Weight	329.17
AlogP	3.86
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	11.41
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H23N3

Molecular Weight

329.17

AlogP

3.86

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

11.41

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	57647-35-5
NORMAN SUSDAT
FDA SRS	WEK9FVT37G
PubChem	42510

Resources

Reference

CAS NUMBER

57647-35-5

NORMAN SUSDAT

FDA SRS

WEK9FVT37G

PubChem

42510

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N,N,N'-TRIMETHYL-N'-(3-PHENYL-1H-INDOL-1-YL)ETHYLENEDIAMINE MONOHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References