CHEBI:18397 - 2-phenylethylamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phenylethylamine
ChEBI ID CHEBI:18397
Definition A phenylethylamine having the phenyl substituent at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8063, CHEBI:14782, CHEBI:25965
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H11N
Net Charge 0
Average Mass 121.17960
Monoisotopic Mass 121.089
InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N
SMILES NCCc1ccccc1
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Biological Role(s): 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.
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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)
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 Sources
2-Phenylethylamine KEGG COMPOUND
benzeneethanamine NIST Chemistry WebBook
β-aminoethylbenzene NIST Chemistry WebBook
β-phenethylamine NIST Chemistry WebBook
beta-Phenylethylamine KEGG COMPOUND
Phenethylamine KEGG COMPOUND
Phenylethylamine KEGG COMPOUND
Database Links Databases
2-phenylethylamine Wikipedia
C00001426 KNApSAcK
C05332 KEGG COMPOUND
DB04325 DrugBank
ECMDB02654 ECMDB
HMDB0012275 HMDB
PEA PDBeChem
View more database links
Registry Numbers Types Sources
50120 Gmelin Registry Number Gmelin
507488 Beilstein Registry Number Beilstein
507488 Reaxys Registry Number Reaxys
64-04-0 CAS Registry Number KEGG COMPOUND
64-04-0 CAS Registry Number NIST Chemistry WebBook
64-04-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20390105 PubMed citation Europe PMC
21191624 PubMed citation Europe PMC
23225177 PubMed citation Europe PMC
23564683 PubMed citation Europe PMC
7906896 PubMed citation Europe PMC
Last Modified
27 January 2016