EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MQ9CN8QU3F
EPA CompTox	DTXSID10204911

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MQ9CN8QU3F

EPA CompTox

DTXSID10204911


InChI Key	VTHLRNWWADIQMB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCNc1ccc2ccccc2c1
InChI	InChI=1S/C23H35N/c1-2-3-4-5-6-7-8-9-10-11-14-19-24-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20,24H,2-11,14,19H2,1H3

InChI Key

VTHLRNWWADIQMB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCNc1ccc2ccccc2c1

InChI

InChI=1S/C23H35N/c1-2-3-4-5-6-7-8-9-10-11-14-19-24-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20,24H,2-11,14,19H2,1H3

Property Name	Value
Molecular Formula	C23H35N1
Molecular Weight	325.28
AlogP	7.56
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	13.0
Polar Surface Area	12.03
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C23H35N1

Molecular Weight

325.28

AlogP

7.56

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

13.0

Polar Surface Area

12.03

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	56358-18-0
NORMAN SUSDAT
FDA SRS	MQ9CN8QU3F
PubChem	91817
ChemSpider	82913.0

Resources

Reference

CAS NUMBER

56358-18-0

NORMAN SUSDAT

FDA SRS

MQ9CN8QU3F

PubChem

91817

ChemSpider

82913.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

N-TRIDECYLNAPHTHALEN-2-AMINE

Structure

Physicochemical Descriptors

Cross References