EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6M2KNE3TLW
EPA CompTox	DTXSID20240603

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6M2KNE3TLW

EPA CompTox

DTXSID20240603


InChI Key	LUKYIMOTPSTGQB-UHFFFAOYSA-N
Smiles	CCc1cc(N)c(O)cc1
InChI	InChI=1S/C8H11NO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3

InChI Key

LUKYIMOTPSTGQB-UHFFFAOYSA-N

Smiles

CCc1cc(N)c(O)cc1

InChI

InChI=1S/C8H11NO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3

Property Name	Value
Molecular Formula	C8H11N1O1
Molecular Weight	137.08
AlogP	1.54
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	46.25
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H11N1O1

Molecular Weight

137.08

AlogP

1.54

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

46.25

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	94109-11-2
NORMAN SUSDAT
FDA SRS	6M2KNE3TLW
PubChem	721885
ChemSpider	630127.0

Resources

Reference

CAS NUMBER

94109-11-2

NORMAN SUSDAT

FDA SRS

6M2KNE3TLW

PubChem

721885

ChemSpider

630127.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-AMINO-4-ETHYLPHENOL

Structure

Physicochemical Descriptors

Cross References