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CHEBI:18397 - 2-phenylethylamine

Default Structure
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:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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
2-PhenylethylamineKEGG COMPOUND
benzeneethanamineNIST Chemistry WebBook
beta-PhenylethylamineKEGG COMPOUND
PhenethylamineKEGG COMPOUND
PhenylethylamineKEGG COMPOUND
β-aminoethylbenzeneNIST Chemistry WebBook
Manual XrefsDatabases
2-phenylethylamineWikipedia
C00001426KNApSAcK
C05332KEGG COMPOUND
C05332KEGG COMPOUND
DB04325DrugBank
ECMDB02654ECMDB
HMDB0012275HMDB
PEAPDBeChem
Registry NumbersSources
Gmelin:50120Gmelin
Reaxys:507488Reaxys
CAS:64-04-0NIST Chemistry WebBook
CAS:64-04-0ChemIDplus
CAS:64-04-0KEGG COMPOUND
Citations