EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9F0BFM744F
EPA CompTox	DTXSID7042356

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9F0BFM744F

EPA CompTox

DTXSID7042356


InChI Key	JJJPNTQYUJPWGQ-UHFFFAOYSA-N
Smiles	C(Cc1ccccc1)Cc2ccccn2
InChI	InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2

InChI Key

JJJPNTQYUJPWGQ-UHFFFAOYSA-N

Smiles

C(Cc1ccccc1)Cc2ccccn2

InChI

InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2

Property Name	Value
Molecular Formula	C14H15N1
Molecular Weight	197.12
AlogP	3.26
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	12.89
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H15N1

Molecular Weight

197.12

AlogP

3.26

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

12.89

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	2110-18-1
NORMAN SUSDAT
FDA SRS	9F0BFM744F
PubChem	459494
ChemSpider	404399.0

Resources

Reference

CAS NUMBER

2110-18-1

NORMAN SUSDAT

FDA SRS

9F0BFM744F

PubChem

459494

ChemSpider

404399.0

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...

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Last update: Monday, 3 November 2025

2-(3-PHENYLPROPYL)PYRIDINE

Structure

Physicochemical Descriptors

Cross References