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

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ChEBI Name N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
ChEBI ID CHEBI:86990
ChEBI ASCII Name N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Definition An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H18F3NO
Net Charge 0
Average Mass 309.32610
Monoisotopic Mass 309.134
InChI InChI=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
InChIKey RTHCYVBBDHJXIQ-UHFFFAOYSA-N
SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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)
IUPAC Name
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Manual Xrefs Databases
1851 VSDB
LSM-1449 LINCS
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Last Modified
24 February 2016
General Comment
2015-07-20 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)- and (S)-fluoxetine] and for the racemate (fluoxetine).