EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	32Y3271G51
EPA CompTox	DTXSID7027833

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

32Y3271G51

EPA CompTox

DTXSID7027833


InChI Key	JJVKJJNCIILLRP-UHFFFAOYSA-N
Smiles	CCc1cccc(C)c1N
InChI	InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3

InChI Key

JJVKJJNCIILLRP-UHFFFAOYSA-N

Smiles

CCc1cccc(C)c1N

InChI

InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3

Property Name	Value
Molecular Formula	C9H13N1
Molecular Weight	135.1
AlogP	2.14
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	26.02
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H13N1

Molecular Weight

135.1

AlogP

2.14

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

26.02

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	24549-06-2
NORMAN SUSDAT
FDA SRS	32Y3271G51
PubChem	32485
ChemSpider	30109.0

Resources

Reference

CAS NUMBER

24549-06-2

NORMAN SUSDAT

FDA SRS

32Y3271G51

PubChem

32485

ChemSpider

30109.0

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-ETHYL-6-METHYLANILINE

Structure

Physicochemical Descriptors

Cross References