Reconcile

C₁₇H₁₉ClF₃NOCAS 59333-67-4345.79 g/mol

Open in Covalent MOL file

Alkyl halide Ether Secondary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin13.7% of notifiers
H318 Causes serious eye damage81.7% of notifiers
H332 Harmful if inhaled14.5% of notifiers
H361 Suspected of damaging fertility or the unborn child16.8% of notifiers
H400 Very toxic to aquatic life93.1% of notifiers

Aggregated from 131 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

59333-67-4

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

Weigh it out

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

Names and synonyms

59 names · show all

Ansilan
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
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fluoxetine54910-89-3Free base (-)-Fluoxetine hydrochloride114247-09-5Defined stereoisomer Reconcile56296-78-7

Similar compounds

Atomoxetine hydrochloride82248-59-756 % similar Atomoxetine83015-26-350 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-842 % similar 4-(Trifluoromethyl)diphenyl ether2367-02-440 % similar 4-(3-Trifluoromethylphenyl)piperidine hydrochloride6652-16-040 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-940 % similar 4-(Trifluoromethyl)benzhydrol395-23-338 % similar Duloxetine hydrochloride136434-34-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook