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CHEBI:170051 - 1-(Benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol

ChEBI IDCHEBI:170051
ChEBI Name1-(Benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO2
Net Charge0
Average Mass285.387
Monoisotopic Mass285.17288
SMILESCc1ccc(OCC(O)CNCc2ccccc2)cc1C
InChIInChI=1S/C18H23NO2/c1-14-8-9-18(10-15(14)2)21-13-17(20)12-19-11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3
InChIKeyHEFPHRMJPGVGHY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(Benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol (CHEBI:170051) is a aromatic amine (CHEBI:33860)
IUPAC Name 
1-(benzylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
Manual XrefsDatabases
2074882ChemSpider