EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VT2234594H
EPA CompTox	DTXSID6027218

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VT2234594H

EPA CompTox

DTXSID6027218


InChI Key	FOYHNROGBXVLLX-UHFFFAOYSA-N
Smiles	CCc1cccc(CC)c1N
InChI	InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3

InChI Key

FOYHNROGBXVLLX-UHFFFAOYSA-N

Smiles

CCc1cccc(CC)c1N

InChI

InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3

Property Name	Value
Molecular Formula	C10H15N1
Molecular Weight	149.12
AlogP	2.39
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	26.02
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H15N1

Molecular Weight

149.12

AlogP

2.39

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

26.02

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	579-66-8
NORMAN SUSDAT
FDA SRS	VT2234594H
PubChem	11369
ChemSpider	21106539.0

Resources

Reference

CAS NUMBER

579-66-8

NORMAN SUSDAT

FDA SRS

VT2234594H

PubChem

11369

ChemSpider

21106539.0

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

2,6-DIETHYLANILINE

Structure

Physicochemical Descriptors

Cross References