Cinacalcet

C₂₂H₂₂F₃NCAS 226256-56-0357.42 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₂₂H₂₂F₃N
Molar mass: 357.42 g/mol
Exact mass: 357.1704 Da
pKa: 8.4
logP: 6.14Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

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

Weigh it out

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

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.

Cinacalcet hydrochloride364782-34-3Salt

Similar compounds

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 3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-440 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-840 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-338 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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