EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L3TI3JB1HE
EPA CompTox	DTXSID0059247

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L3TI3JB1HE

EPA CompTox

DTXSID0059247


InChI Key	VRPZLDIUBCEYBA-UHFFFAOYSA-N
Smiles	CN(CCN(C)Cc1ccccc1)Cc1ccccc1
InChI	InChI=1S/C18H24N2/c1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3

InChI Key

VRPZLDIUBCEYBA-UHFFFAOYSA-N

Smiles

CN(CCN(C)Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C18H24N2/c1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3

Property Name	Value
Molecular Formula	C18H24N2
Molecular Weight	268.19
AlogP	3.25
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	6.48
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H24N2

Molecular Weight

268.19

AlogP

3.25

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

6.48

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	102-18-1
NORMAN SUSDAT
FDA SRS	L3TI3JB1HE
PubChem	66017
ChemSpider	59408.0

Resources

Reference

CAS NUMBER

102-18-1

NORMAN SUSDAT

FDA SRS

L3TI3JB1HE

PubChem

66017

ChemSpider

59408.0

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

1,2-ETHANEDIAMINE, N,N'-DIMETHYL-N,N'-BIS(PHENYLMETHYL)-

Structure

Physicochemical Descriptors

Cross References