EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30239568

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30239568


InChI Key	ZINOQNYPQHETBN-UHFFFAOYSA-N
Smiles	C(CNc1cc2ccccc2cc1)CN1CCOCC1
InChI	InChI=1S/C17H22N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h1-2,4-7,14,18H,3,8-13H2

InChI Key

ZINOQNYPQHETBN-UHFFFAOYSA-N

Smiles

C(CNc1cc2ccccc2cc1)CN1CCOCC1

InChI

InChI=1S/C17H22N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h1-2,4-7,14,18H,3,8-13H2

Property Name	Value
Molecular Formula	C17H22N2O1
Molecular Weight	270.17
AlogP	2.97
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	24.5
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H22N2O1

Molecular Weight

270.17

AlogP

2.97

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

24.5

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	93762-06-2
NORMAN SUSDAT
PubChem	3022198
ChemSpider	2288764.0

Resources

Reference

CAS NUMBER

93762-06-2

NORMAN SUSDAT

PubChem

3022198

ChemSpider

2288764.0

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-(3-(MORPHOLINO)PROPYL)NAPHTHALEN-2-AMINE

Structure

Physicochemical Descriptors

Cross References