CHEBI:132234 - 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
ChEBI ID CHEBI:132234
ChEBI ASCII Name 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
Definition A secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H17NO2
Net Charge 0
Average Mass 207.269
Monoisotopic Mass 207.126
InChI InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKey PVXVWWANJIWJOO-UHFFFAOYSA-N
SMILES C(C1=CC2=C(C=C1)OCO2)C(NCC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine (CHEBI:132234) is a benzodioxoles (CHEBI:38298)
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine (CHEBI:132234) is a secondary amino compound (CHEBI:50995)
Incoming (R)-3,4-methylenedioxy-N-ethylamphetamine (CHEBI:132235) is a 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine (CHEBI:132234)
(S)-3,4-methylenedioxy-N-ethylamphetamine (CHEBI:132236) is a 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine (CHEBI:132234)
IUPAC Name
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
Last Modified
04 July 2016