EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86990 - N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

ChEBI IDCHEBI:86990
ChEBI NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Stars
ASCII NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
DefinitionAn aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
Last Modified24 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H18F3NO
Net Charge0
Average Mass309.331
Monoisotopic Mass309.13405
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKeyRTHCYVBBDHJXIQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990) is a (trifluoromethyl)benzenes (CHEBI:83565)
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990) is a aromatic ether (CHEBI:35618)
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-fluoxetine (CHEBI:86991) is a N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990)
(S)-fluoxetine (CHEBI:86992) is a N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990)
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) (CHEBI:145458) is a N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CHEBI:86990)
IUPAC Name 
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Manual XrefsDatabases
LSM-1449LINCS
1851VSDB