EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L25UNU8WNU
EPA CompTox	DTXSID30176702

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L25UNU8WNU

EPA CompTox

DTXSID30176702


InChI Key	MOXOFSFWYLTCFU-UHFFFAOYSA-N
Smiles	Nc1cc2c(CCCC2)cc1
InChI	InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,11H2

InChI Key

MOXOFSFWYLTCFU-UHFFFAOYSA-N

Smiles

Nc1cc2c(CCCC2)cc1

InChI

InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,11H2

Property Name	Value
Molecular Formula	C10H13N1
Molecular Weight	147.1
AlogP	2.15
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H13N1

Molecular Weight

147.1

AlogP

2.15

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	2217-43-8
NORMAN SUSDAT
FDA SRS	L25UNU8WNU
PubChem	75193
ChemSpider	67739.0

Resources

Reference

CAS NUMBER

2217-43-8

NORMAN SUSDAT

FDA SRS

L25UNU8WNU

PubChem

75193

ChemSpider

67739.0

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

5,6,7,8-TETRAHYDRO-2-NAPHTHYLAMINE

Structure

Physicochemical Descriptors

Cross References