chempirical

Reconcile

C17H19ClF3NOCAS 56296-78-7345.79 g/mol

Open in Covalent MOL file
HNOFFFHCl
Alkyl halideEtherSecondary amine

Properties

Molecular formula
C17H19ClF3NO
Molar mass
345.79 g/mol
Exact mass
345.1107 Da
Melting point
158.4–158.9 °C
logP
4.86Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
56296-78-7
SMILES
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
InChIKey
GIYXAJPCNFJEHY-UHFFFAOYSA-N
InChI
InChI=1S/C17H18F3NO.ClH/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;1H

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Names and synonyms

59 names · show all
  • Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1)
  • Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride
  • Fluoxetine hydrochloride
  • Lilly 110140
  • LY 110140
  • Prozac
  • (±)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine hydrochloride
  • Adofen
  • Ansilan
  • Deproxin
  • Erocap
  • Fluctin
  • Fluctine
  • Affectine
  • Alzac 20
  • Flunil
  • Fluoxac
  • Fluoxeren
  • Fluoxil
  • Fluox-puren
  • Flutin
  • Flutine
  • Fluxen
  • Fluxil
  • Fontex
  • Foxetin
  • Lorien
  • Lovan
  • Margrilan
  • Modipran
  • Neupax
  • Nopres
  • Nuzak
  • Oxedep
  • Pragmaten
  • Prizma
  • Proctin
  • Prodep
  • Prozac 20
  • Rowexetina
  • Sanzur
  • Sinzac
  • Zactin
  • Zepax
  • Fludac
  • Flufran
  • Reneuron
  • Sarafem
  • Profluzac
  • N-Methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine hydrochloride
  • Zedprex
  • Digassim
  • Nodepe
  • Fluxetyl
  • Pluzac
  • Salipax
  • Octozac
  • N-Methyl-3-[4-(trifluoromethyl)phenoxy]-3-phenylpropanamine hydrochloride
  • Flunirin

Work with Reconcile

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

Fluoxetine54910-89-393 % similar Atomoxetine hydrochloride82248-59-756 % similar Atomoxetine83015-26-350 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-842 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-940 % similar Duloxetine hydrochloride136434-34-937 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-335 % similar 4-Phenylpiperidine hydrochloride10272-49-833 % similar

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

Same formula

(-)-Fluoxetine hydrochloride114247-09-5 Reconcile59333-67-4

Elsewhere

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