EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P284GC9SFB
EPA CompTox	DTXSID20213014

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P284GC9SFB

EPA CompTox

DTXSID20213014


InChI Key	FMRXMCKJBASAKX-UHFFFAOYSA-N
Smiles	CCOc1ccc(Nc2c3ccccc3ccc2)cc1
InChI	InChI=1S/C18H17NO/c1-2-20-16-12-10-15(11-13-16)19-18-9-5-7-14-6-3-4-8-17(14)18/h3-13,19H,2H2,1H3

InChI Key

FMRXMCKJBASAKX-UHFFFAOYSA-N

Smiles

CCOc1ccc(Nc2c3ccccc3ccc2)cc1

InChI

InChI=1S/C18H17NO/c1-2-20-16-12-10-15(11-13-16)19-18-9-5-7-14-6-3-4-8-17(14)18/h3-13,19H,2H2,1H3

Property Name	Value
Molecular Formula	C18H17N1O1
Molecular Weight	263.13
AlogP	4.98
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	21.26
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H17N1O1

Molecular Weight

263.13

AlogP

4.98

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

21.26

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	6364-00-7
NORMAN SUSDAT
FDA SRS	P284GC9SFB
PubChem	80716
ChemSpider	72883.0

Resources

Reference

CAS NUMBER

6364-00-7

NORMAN SUSDAT

FDA SRS

P284GC9SFB

PubChem

80716

ChemSpider

72883.0

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-(4-ETHOXYPHENYL)NAPHTHALEN-1-AMINE

Structure

Physicochemical Descriptors

Cross References