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

ChEBI IDCHEBI:132234
ChEBI Name1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
Stars
ASCII Name1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
DefinitionA secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group.
Last Modified4 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H17NO2
Net Charge0
Average Mass207.273
Monoisotopic Mass207.12593
SMILESCCNC(C)Cc1ccc2c(c1)OCO2
InChIInChI=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
InChIKeyPVXVWWANJIWJOO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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