EcoDrugPlus


Keyword(s):	Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals ; Indoor Environment Substances
Molecule Category	Free-form
UNII	HJD0U67PS1
EPA CompTox	DTXSID9025114

Keyword(s):

Plastic additives ; Drinking Water Chemicals ; Food Contact Chemicals ; Indoor Environment Substances

Molecule Category

Free-form

UNII

HJD0U67PS1

EPA CompTox

DTXSID9025114


InChI Key	ZZMVLMVFYMGSMY-UHFFFAOYSA-N
Smiles	CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
InChI	InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3

InChI Key

ZZMVLMVFYMGSMY-UHFFFAOYSA-N

Smiles

CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1

InChI

InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3

Property Name	Value
Molecular Formula	C18H24N2
Molecular Weight	268.19
AlogP	5.28
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	24.06
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H24N2

Molecular Weight

268.19

AlogP

5.28

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

24.06

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	793-24-8
NORMAN SUSDAT
FDA SRS	HJD0U67PS1
PubChem	13101
ChemSpider	12553.0

Resources

Reference

CAS NUMBER

793-24-8

NORMAN SUSDAT

FDA SRS

HJD0U67PS1

PubChem

13101

ChemSpider

12553.0

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

N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References