chempirical

Cinacalcet

C22H22F3NCAS 226256-56-0357.42 g/mol

Open in Covalent MOL file
NHFFF
Alkyl halideSecondary amine

Properties

Molecular formula
C22H22F3N
Molar mass
357.42 g/mol
Exact mass
357.1704 Da
logP
6.14Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
226256-56-0
SMILES
C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIKey
VDHAWDNDOKGFTD-MRXNPFEDSA-N
InChI
InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1

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

Names and synonyms

5 names
  • 1-Naphthalenemethanamine, α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, (αR)-
  • (αR)-α-Methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine
  • AMG 073
  • N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
  • Parareg

Work with Cinacalcet

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

Cinacalcet hydrochloride364782-34-394 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-246 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-042 % similar Fenfluramine hydrochloride404-82-041 % similar 2-(Naphthalen-1-yl)pyrrolidine121193-91-741 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-840 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-338 % similar 3-(Trifluoromethyl)benzylamine2740-83-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook