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CHEBI:18397 - 2-phenylethylamine

ChEBI IDCHEBI:18397
ChEBI Name2-phenylethylamine
Stars
DefinitionA phenylethylamine having the phenyl substituent at the 2-position.
Secondary ChEBI IDsCHEBI:8063, CHEBI:14782, CHEBI:25965
Last Modified15 January 2021
DownloadsMolfile
FormulaC8H11N
Net Charge0
Average Mass121.183
Monoisotopic Mass121.08915
SMILESNCCc1ccccc1
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-phenylethylamine (CHEBI:18397) has role Escherichia coli metabolite (CHEBI:76971)
2-phenylethylamine (CHEBI:18397) has role human metabolite (CHEBI:77746)
2-phenylethylamine (CHEBI:18397) has role mouse metabolite (CHEBI:75771)
2-phenylethylamine (CHEBI:18397) is a alkaloid (CHEBI:22315)
2-phenylethylamine (CHEBI:18397) is a aralkylamine (CHEBI:18000)
2-phenylethylamine (CHEBI:18397) is a phenylethylamine (CHEBI:50048)
2-phenylethylamine (CHEBI:18397) is conjugate base of 2-phenylethanaminium (CHEBI:225237)
Incoming Relation(s)
(2R)-4-(2-ammonio-1-hydroxyethyl)phenol (CHEBI:141486) has functional parent 2-phenylethylamine (CHEBI:18397)
2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine (CHEBI:39866) has functional parent 2-phenylethylamine (CHEBI:18397)
3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine (CHEBI:39640) has functional parent 2-phenylethylamine (CHEBI:18397)
soblidotin (CHEBI:32135) has functional parent 2-phenylethylamine (CHEBI:18397)
3,4-dimethoxyphenylethylamine (CHEBI:136995) has parent hydride 2-phenylethylamine (CHEBI:18397)
4-methoxyphenylethylamine (CHEBI:266039) has parent hydride 2-phenylethylamine (CHEBI:18397)
2-phenylethanaminium (CHEBI:225237) is conjugate acid of 2-phenylethylamine (CHEBI:18397)
IUPAC Name 
2-phenylethanamine
Synonyms  Source
PhenethylamineKEGG COMPOUND
2-PhenylethylamineKEGG COMPOUND
beta-PhenylethylamineKEGG COMPOUND
PhenylethylamineKEGG COMPOUND
β-aminoethylbenzeneNIST Chemistry WebBook
β-phenethylamineNIST Chemistry WebBook
Manual XrefsDatabases
C05332KEGG COMPOUND
C05332KEGG COMPOUND
DB04325DrugBank
2-phenylethylamineWikipedia
HMDB0012275HMDB
PEAPDBeChem
C00001426KNApSAcK
ECMDB02654ECMDB
Registry NumbersSources
Gmelin:50120Gmelin
Reaxys:507488Reaxys
CAS:64-04-0KEGG COMPOUND
CAS:64-04-0ChemIDplus
CAS:64-04-0NIST Chemistry WebBook
Citations