chempirical

Fluoxetine

C17H18F3NOCAS 54910-89-3309.33 g/mol

Open in Covalent MOL file
HNOFFF
Alkyl halideEtherSecondary amine

Properties

Molecular formula
C17H18F3NO
Molar mass
309.33 g/mol
Exact mass
309.1340 Da
Melting point
158 °C
logP
4.43Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
54910-89-3
SMILES
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIKey
RTHCYVBBDHJXIQ-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-
  • Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, (±)-
  • N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine
  • Dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
  • (±)-Fluoxetine
  • (±)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine
  • 3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
  • Deprex
  • Fluval
  • NSC 283480
  • N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
  • Nikomed
  • Fluoxin
  • Fluoxetin ratiopharm
  • Symbiax
  • Seronil
  • N-Methyl-3-[4-(trifluoromethyl)phenoxy]-3-phenylpropanamine
  • Daforin

Work with Fluoxetine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Fluoxetine hydrochloride114247-09-593 % similar Reconcile56296-78-793 % similar Reconcile59333-67-493 % similar Atomoxetine83015-26-353 % similar Atomoxetine hydrochloride82248-59-750 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-845 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-942 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook