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CHEBI:16913 - N-methylphenylethanolamine

ChEBI IDCHEBI:16913
ChEBI NameN-methylphenylethanolamine
Stars
ASCII NameN-methylphenylethanolamine
DefinitionAn alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica.
Secondary ChEBI IDsCHEBI:7322, CHEBI:12523, CHEBI:21770
Last Modified26 February 2016
DownloadsMolfile
FormulaC9H13NO
Net Charge0
Average Mass151.209
Monoisotopic Mass151.09971
SMILESCNCC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (6775642)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
N-methylphenylethanolamine (CHEBI:16913) has role human metabolite (CHEBI:77746)
N-methylphenylethanolamine (CHEBI:16913) has role plant metabolite (CHEBI:76924)
N-methylphenylethanolamine (CHEBI:16913) is a alkaloid (CHEBI:22315)
N-methylphenylethanolamine (CHEBI:16913) is a phenylethanolamines (CHEBI:25990)
N-methylphenylethanolamine (CHEBI:16913) is conjugate base of N-methylphenylethanolaminium (CHEBI:57946)
Incoming Relation(s)
N-methylphenylethanolaminium (CHEBI:57946) is conjugate acid of N-methylphenylethanolamine (CHEBI:16913)
IUPAC Name 
2-(methylamino)-1-phenylethanol
Synonyms  Source
N-MethylphenylethanolamineKEGG COMPOUND
(+-)-HalostachineChemIDplus
(+-)-alpha-((Methylamino)methyl)benzenemethanolChemIDplus
Benzyl alcohol, alpha-((methylamino)methyl)-, dl-ChemIDplus
Manual XrefsDatabases
C03711KEGG COMPOUND
N-METHYLPHENYLETHANOLAMINEMetaCyc
HMDB0001387HMDB
HalostachineWikipedia
LSM-36938LINCS
Registry NumbersSources
Reaxys:1072841Reaxys
CAS:68579-60-2KEGG COMPOUND
CAS:68579-60-2ChemIDplus
Citations