EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5B56R4N6WB
EPA CompTox	DTXSID40158337

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5B56R4N6WB

EPA CompTox

DTXSID40158337


InChI Key	JAKIBWZPJXEMRZ-UHFFFAOYSA-N
Smiles	OCCN(C1CCCCC1)c1ccccc1
InChI	InChI=1S/C14H21NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2

InChI Key

JAKIBWZPJXEMRZ-UHFFFAOYSA-N

Smiles

OCCN(C1CCCCC1)c1ccccc1

InChI

InChI=1S/C14H21NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2

Property Name	Value
Molecular Formula	C14H21N1O1
Molecular Weight	219.16
AlogP	2.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	23.47
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H21N1O1

Molecular Weight

219.16

AlogP

2.82

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

23.47

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	13371-73-8
NORMAN SUSDAT
FDA SRS	5B56R4N6WB
PubChem	83387
ChemSpider	75245.0

Resources

Reference

CAS NUMBER

13371-73-8

NORMAN SUSDAT

FDA SRS

5B56R4N6WB

PubChem

83387

ChemSpider

75245.0

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-(CYCLOHEXYLPHENYLAMINO)ETHANOL

Structure

Physicochemical Descriptors

Cross References