EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	QX58THR9Y8
EPA CompTox	DTXSID00951962

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

QX58THR9Y8

EPA CompTox

DTXSID00951962


InChI Key	XWLXNPMITZDCHL-UHFFFAOYSA-N
Smiles	[H+].[Cl-].CC(N)Cc1ccc(C)c(O)c1
InChI	InChI=1S/C10H15NO/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3-4,6,8,12H,5,11H2,1-2H3

InChI Key

XWLXNPMITZDCHL-UHFFFAOYSA-N

Smiles

[H+].[Cl-].CC(N)Cc1ccc(C)c(O)c1

InChI

InChI=1S/C10H15NO/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3-4,6,8,12H,5,11H2,1-2H3

Property Name	Value
Molecular Formula	C10H15N1O1
Molecular Weight	165.12
AlogP	1.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	46.25
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H15N1O1

Molecular Weight

165.12

AlogP

1.59

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

46.25

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	29440-90-2
NORMAN SUSDAT
FDA SRS	QX58THR9Y8

Resources

Reference

CAS NUMBER

29440-90-2

NORMAN SUSDAT

FDA SRS

QX58THR9Y8

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

5-(2-AMINOPROPYL)-O-PHENOL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References