EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DWX2R0PS9P
EPA CompTox	DTXSID00162834

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DWX2R0PS9P

EPA CompTox

DTXSID00162834


InChI Key	MQRIUFVBEVFILS-UHFFFAOYSA-N
Smiles	CNCc1cccc2ccccc12
InChI	InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3

InChI Key

MQRIUFVBEVFILS-UHFFFAOYSA-N

Smiles

CNCc1cccc2ccccc12

InChI

InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3

Property Name	Value
Molecular Formula	C12H13N1
Molecular Weight	171.1
AlogP	2.56
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.03
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C12H13N1

Molecular Weight

171.1

AlogP

2.56

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.03

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	14489-75-9
NORMAN SUSDAT
FDA SRS	DWX2R0PS9P
PubChem	84474
ChemSpider	76203.0

Resources

Reference

CAS NUMBER

14489-75-9

NORMAN SUSDAT

FDA SRS

DWX2R0PS9P

PubChem

84474

ChemSpider

76203.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

N-METHYL-N-NAPHTHYLMETHYLAMINE

Structure

Physicochemical Descriptors

Cross References