EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K87WEQ66KV
EPA CompTox	DTXSID10972325

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K87WEQ66KV

EPA CompTox

DTXSID10972325


InChI Key	ABMVTYGGTMHHTN-UHFFFAOYSA-N
Smiles	NC(C=1C=CC=CC1)CCC=2C=CC=CC2
InChI	InChI=1/C15H17N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2

InChI Key

ABMVTYGGTMHHTN-UHFFFAOYSA-N

Smiles

NC(C=1C=CC=CC1)CCC=2C=CC=CC2

InChI

InChI=1/C15H17N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2

Property Name	Value
Molecular Formula	C15H17N
Molecular Weight	211.14
AlogP	3.32
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	26.02
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H17N

Molecular Weight

211.14

AlogP

3.32

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

26.02

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	5689-74-7
NORMAN SUSDAT
FDA SRS	K87WEQ66KV
PubChem	110690

Resources

Reference

CAS NUMBER

5689-74-7

NORMAN SUSDAT

FDA SRS

K87WEQ66KV

PubChem

110690

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

1,3-DIPHENYLPROPYLAMINE

Structure

Physicochemical Descriptors

Cross References