EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6S79D2P9H8
EPA CompTox	DTXSID10174807

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6S79D2P9H8

EPA CompTox

DTXSID10174807


InChI Key	GJFNRSDCSTVPCJ-UHFFFAOYSA-N
Smiles	CN(C)c1cccc2cccc(N(C)C)c12
InChI	InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3

InChI Key

GJFNRSDCSTVPCJ-UHFFFAOYSA-N

Smiles

CN(C)c1cccc2cccc(N(C)C)c12

InChI

InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3

Property Name	Value
Molecular Formula	C14H18N2
Molecular Weight	214.15
AlogP	2.97
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	6.48
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H18N2

Molecular Weight

214.15

AlogP

2.97

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

6.48

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	20734-58-1
NORMAN SUSDAT
FDA SRS	6S79D2P9H8
PubChem	88675
ChemSpider	80012.0

Resources

Reference

CAS NUMBER

20734-58-1

NORMAN SUSDAT

FDA SRS

6S79D2P9H8

PubChem

88675

ChemSpider

80012.0

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

1,8-BIS(DIMETHYLAMINO)NAPHTHALENE

Structure

Physicochemical Descriptors

Cross References