EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	HKK8ZVE9HR
EPA CompTox	DTXSID60234066

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

HKK8ZVE9HR

EPA CompTox

DTXSID60234066


InChI Key	WGEKOPOQSIGQIJ-UHFFFAOYSA-N
Smiles	Cl.OC1=C(N)C(=CC=C1C(C)C)C
InChI	InChI=1/C10H15NO.ClH/c1-6(2)8-5-4-7(3)9(11)10(8)12;/h4-6,12H,11H2,1-3H3;1H

InChI Key

WGEKOPOQSIGQIJ-UHFFFAOYSA-N

Smiles

Cl.OC1=C(N)C(=CC=C1C(C)C)C

InChI

InChI=1/C10H15NO.ClH/c1-6(2)8-5-4-7(3)9(11)10(8)12;/h4-6,12H,11H2,1-3H3;1H

Property Name	Value
Molecular Formula	C10H15NO
Molecular Weight	201.09
AlogP	2.83
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	46.25
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H15NO

Molecular Weight

201.09

AlogP

2.83

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

46.25

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	85006-22-0
NORMAN SUSDAT
FDA SRS	HKK8ZVE9HR
PubChem	3020287

Resources

Reference

CAS NUMBER

85006-22-0

NORMAN SUSDAT

FDA SRS

HKK8ZVE9HR

PubChem

3020287

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

2-AMINO-6-(1-METHYLETHYL)M-CRESOL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References