EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K0R810A172
EPA CompTox	DTXSID10186889

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K0R810A172

EPA CompTox

DTXSID10186889


InChI Key	MHVHCDLCLNXADJ-UHFFFAOYSA-N
Smiles	C1C(Cc2c1cccc2)Nc1ccccc1
InChI	InChI=1S/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2

InChI Key

MHVHCDLCLNXADJ-UHFFFAOYSA-N

Smiles

C1C(Cc2c1cccc2)Nc1ccccc1

InChI

InChI=1S/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2

Property Name	Value
Molecular Formula	C15H15N1
Molecular Weight	209.12
AlogP	3.27
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.03
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H15N1

Molecular Weight

209.12

AlogP

3.27

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.03

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	33237-72-8
NORMAN SUSDAT
FDA SRS	K0R810A172
PubChem	118068
ChemSpider	105510.0

Resources

Reference

CAS NUMBER

33237-72-8

NORMAN SUSDAT

FDA SRS

K0R810A172

PubChem

118068

ChemSpider

105510.0

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

N-PHENYLINDAN-2-AMINE

Structure

Physicochemical Descriptors

Cross References