EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EW8EZ244AF
EPA CompTox	DTXSID50158404

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EW8EZ244AF

EPA CompTox

DTXSID50158404


InChI Key	WULPPMCTKHSRAO-UHFFFAOYSA-N
Smiles	CCN(CCO)c1ccc(C)cc1
InChI	InChI=1S/C11H17NO/c1-3-12(8-9-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3

InChI Key

WULPPMCTKHSRAO-UHFFFAOYSA-N

Smiles

CCN(CCO)c1ccc(C)cc1

InChI

InChI=1S/C11H17NO/c1-3-12(8-9-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3

Property Name	Value
Molecular Formula	C11H17N1O1
Molecular Weight	179.13
AlogP	1.81
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	23.47
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H17N1O1

Molecular Weight

179.13

AlogP

1.81

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

23.47

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	13386-60-2
NORMAN SUSDAT
FDA SRS	EW8EZ244AF
PubChem	83395
ChemSpider	75252.0

Resources

Reference

CAS NUMBER

13386-60-2

NORMAN SUSDAT

FDA SRS

EW8EZ244AF

PubChem

83395

ChemSpider

75252.0

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-(N-ETHYL-P-TOLUIDINO)ETHANOL

Structure

Physicochemical Descriptors

Cross References