EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	KW3ADN5VYR
EPA CompTox	DTXSID40144518

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

KW3ADN5VYR

EPA CompTox

DTXSID40144518


InChI Key	BEUAFINDWSQCGS-UHFFFAOYSA-N
Smiles	Cl.O=C(C=1C=CC=CC1)CCN2CCOCC2
InChI	InChI=1/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H

InChI Key

BEUAFINDWSQCGS-UHFFFAOYSA-N

Smiles

Cl.O=C(C=1C=CC=CC1)CCN2CCOCC2

InChI

InChI=1/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H

Property Name	Value
Molecular Formula	C13H17NO2
Molecular Weight	255.1
AlogP	2.01
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	29.54
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H17NO2

Molecular Weight

255.1

AlogP

2.01

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

29.54

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	1020-16-2
NORMAN SUSDAT
FDA SRS	KW3ADN5VYR
PubChem	408261

Resources

Reference

CAS NUMBER

1020-16-2

NORMAN SUSDAT

FDA SRS

KW3ADN5VYR

PubChem

408261

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

3-MORPHOLINOPROPIOPHENONE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References