EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NME1I5IGBK
EPA CompTox	DTXSID60862601

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NME1I5IGBK

EPA CompTox

DTXSID60862601


InChI Key	IKFBPFGUINLYQI-UHFFFAOYSA-N
Smiles	CCNC1C2CCC(C2)C1c1ccccc1
InChI	InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3

InChI Key

IKFBPFGUINLYQI-UHFFFAOYSA-N

Smiles

CCNC1C2CCC(C2)C1c1ccccc1

InChI

InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3

Property Name	Value
Molecular Formula	C15H21N1
Molecular Weight	215.17
AlogP	3.18
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	12.03
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H21N1

Molecular Weight

215.17

AlogP

3.18

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

12.03

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1209-98-9
NORMAN SUSDAT
FDA SRS	NME1I5IGBK
PubChem	14584
ChemSpider	13922.0

Resources

Reference

CAS NUMBER

1209-98-9

NORMAN SUSDAT

FDA SRS

NME1I5IGBK

PubChem

14584

ChemSpider

13922.0

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

FENCAMFAMINE

Structure

Physicochemical Descriptors

Cross References