EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M21NJ0OHPP
EPA CompTox	DTXSID9040714

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M21NJ0OHPP

EPA CompTox

DTXSID9040714


InChI Key	LKAQFOKMMXWRRQ-UHFFFAOYSA-N
Smiles	Cc1cc(C)c(N)c(Cl)c1
InChI	InChI=1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3

InChI Key

LKAQFOKMMXWRRQ-UHFFFAOYSA-N

Smiles

Cc1cc(C)c(N)c(Cl)c1

InChI

InChI=1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3

Property Name	Value
Molecular Formula	C8H10Cl1N1
Molecular Weight	155.05
AlogP	2.54
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H10Cl1N1

Molecular Weight

155.05

AlogP

2.54

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	63133-82-4
NORMAN SUSDAT
FDA SRS	M21NJ0OHPP
PubChem	113033
ChemSpider	101310.0

Resources

Reference

CAS NUMBER

63133-82-4

NORMAN SUSDAT

FDA SRS

M21NJ0OHPP

PubChem

113033

ChemSpider

101310.0

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-CHLORO-4,6-DIMETHYLANILINE

Structure

Physicochemical Descriptors

Cross References