EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID7073517

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID7073517


InChI Key	QOYINWMUFFDLBI-UHFFFAOYSA-N
Smiles	CCC1(C)Nc2cccc3cccc(N1)c23
InChI	InChI=1S/C14H16N2/c1-3-14(2)15-11-8-4-6-10-7-5-9-12(16-14)13(10)11/h4-9,15-16H,3H2,1-2H3

InChI Key

QOYINWMUFFDLBI-UHFFFAOYSA-N

Smiles

CCC1(C)Nc2cccc3cccc(N1)c23

InChI

InChI=1S/C14H16N2/c1-3-14(2)15-11-8-4-6-10-7-5-9-12(16-14)13(10)11/h4-9,15-16H,3H2,1-2H3

Property Name	Value
Molecular Formula	C14H16N2
Molecular Weight	212.13
AlogP	3.8
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	24.06
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H16N2

Molecular Weight

212.13

AlogP

3.8

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

24.06

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	43057-68-7
NORMAN SUSDAT
PubChem	170728
ChemSpider	149262.0

Resources

Reference

CAS NUMBER

43057-68-7

NORMAN SUSDAT

PubChem

170728

ChemSpider

149262.0

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-ETHYL-2-METHYL-2,3-DIHYDROPERIMIDINE

Structure

Physicochemical Descriptors

Cross References