para-isopropylaniline (CHEBI:43405)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	para-isopropylaniline

ChEBI ID	CHEBI:43405

ChEBI ASCII Name	para-isopropylaniline

Definition	A substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C9H13N

Net Charge

Average Mass

135.20620

Monoisotopic Mass

135.10480

InChI

InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

InChIKey

LRTFPLFDLJYEKT-UHFFFAOYSA-N

SMILES

CC(C)c1ccc(N)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	para-isopropylaniline (CHEBI:43405) has role bacterial xenobiotic metabolite (CHEBI:76976) para-isopropylaniline (CHEBI:43405) has role marine xenobiotic metabolite (CHEBI:83399) para-isopropylaniline (CHEBI:43405) is a substituted aniline (CHEBI:48975)

IUPAC Name

4-(propan-2-yl)aniline

Last Modified

14 November 2014