EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	37WA59S9WR
EPA CompTox	DTXSID90175675

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

37WA59S9WR

EPA CompTox

DTXSID90175675


InChI Key	YWYAUYAEQBYZFN-UHFFFAOYSA-N
Smiles	C1CCN(C1)C1=Cc2c(CC1)cccc2
InChI	InChI=1S/C14H17N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-6,11H,3-4,7-10H2

InChI Key

YWYAUYAEQBYZFN-UHFFFAOYSA-N

Smiles

C1CCN(C1)C1=Cc2c(CC1)cccc2

InChI

InChI=1S/C14H17N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-6,11H,3-4,7-10H2

Property Name	Value
Molecular Formula	C14H17N1
Molecular Weight	199.14
AlogP	3.07
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	3.24
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H17N1

Molecular Weight

199.14

AlogP

3.07

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

3.24

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	21403-95-2
NORMAN SUSDAT
FDA SRS	37WA59S9WR
PubChem	88889
ChemSpider	80208.0

Resources

Reference

CAS NUMBER

21403-95-2

NORMAN SUSDAT

FDA SRS

37WA59S9WR

PubChem

88889

ChemSpider

80208.0

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

1-(3,4-DIHYDRO-2-NAPHTHYL)PYRROLIDINE

Structure

Physicochemical Descriptors

Cross References