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CHEBI:229522 - 2-phenylpropylamine

ChEBI IDCHEBI:229522
ChEBI Name2-phenylpropylamine
Stars
DefinitionA phenylalkylamine that is propan-1-amine substituted by a phenyl group at position 2. It is classified as a doping agent by the World Anti-Doping Agency.
Last Modified1 February 2024
Submitterntejera
DownloadsMolfile
FormulaC9H13N
Net Charge0
Average Mass135.210
Monoisotopic Mass135.10480
SMILESCC(CN)c1ccccc1
InChIInChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyAXORVIZLPOGIRG-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antihypotensive agent  A cardiovascular drug that tends to raise reduced blood pressure.
ChEBI Ontology
Outgoing Relation(s)
2-phenylpropylamine (CHEBI:229522) has role antihypotensive agent (CHEBI:137431)
2-phenylpropylamine (CHEBI:229522) is a benzenes (CHEBI:22712)
2-phenylpropylamine (CHEBI:229522) is a phenylalkylamine (CHEBI:60977)
Incoming Relation(s)
(R)-2-phenylpropylamine (CHEBI:188982) is a 2-phenylpropylamine (CHEBI:229522)
(S)-2-phenylpropylamine (CHEBI:229525) is a 2-phenylpropylamine (CHEBI:229522)
IUPAC Name 
2-phenylpropan-1-amine
Synonyms  Source
β-methylbenzeneethanamineNIST Chemistry WebBook
β-methylphenethylamineNIST Chemistry WebBook
β-methylphenylethylamineNIST Chemistry WebBook
β-phenylpropylamineNIST Chemistry WebBook
2-phenyl-1-propylamineNIST Chemistry WebBook
2-phenyl-1-propanamineChEBI
Manual XrefsDatabases
Beta-methylphenethylamineWikipedia
10920ChemSpider
Registry NumbersSources
CAS:582-22-9NIST Chemistry WebBook
Citations