EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	67VKG5DY8W
EPA CompTox	DTXSID4046238

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

67VKG5DY8W

EPA CompTox

DTXSID4046238


InChI Key	WYZDCUGWXKHESN-UHFFFAOYSA-N
Smiles	CN(Cc1ccccc1)Cc1ccccc1
InChI	InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3

InChI Key

WYZDCUGWXKHESN-UHFFFAOYSA-N

Smiles

CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3

Property Name	Value
Molecular Formula	C15H17N1
Molecular Weight	211.14
AlogP	3.32
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	3.24
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H17N1

Molecular Weight

211.14

AlogP

3.32

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

3.24

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	102-05-6
NORMAN SUSDAT
FDA SRS	67VKG5DY8W
PubChem	21583
ChemSpider	20285.0

Resources

Reference

CAS NUMBER

102-05-6

NORMAN SUSDAT

FDA SRS

67VKG5DY8W

PubChem

21583

ChemSpider

20285.0

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

DIBEMETHINE

Structure

Physicochemical Descriptors

Cross References