EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID5071838

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID5071838


InChI Key	KZWLHUOWZWMZOI-UHFFFAOYSA-N
Smiles	Cl.Cl.O=C(NCCNCCN)C1=CC=2C=CC=CC2C=C1O
InChI	InChI=1/C15H19N3O2.2ClH/c16-5-6-17-7-8-18-15(20)13-9-11-3-1-2-4-12(11)10-14(13)19;;/h1-4,9-10,17,19H,5-8,16H2,(H,18,20);2*1H

InChI Key

KZWLHUOWZWMZOI-UHFFFAOYSA-N

Smiles

Cl.Cl.O=C(NCCNCCN)C1=CC=2C=CC=CC2C=C1O

InChI

InChI=1/C15H19N3O2.2ClH/c16-5-6-17-7-8-18-15(20)13-9-11-3-1-2-4-12(11)10-14(13)19;;/h1-4,9-10,17,19H,5-8,16H2,(H,18,20);2*1H

Property Name	Value
Molecular Formula	C15H19N3O2
Molecular Weight	345.1
AlogP	2.24
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	90.87
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H19N3O2

Molecular Weight

345.1

AlogP

2.24

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

90.87

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	68921-73-3
NORMAN SUSDAT
PubChem	111759

Resources

Reference

CAS NUMBER

68921-73-3

NORMAN SUSDAT

PubChem

111759

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-[2-[(2-AMINOETHYL)AMINO]ETHYL]-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References