Clemastine

C₂₁H₂₆ClNOCAS 15686-51-8343.90 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₆ClNO
Molar mass: 343.90 g/mol
Exact mass: 343.1703 Da
Boiling point: 154 °C (at 0.02 Torr)
logP: 5.10Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

15686-51-8

SMILES

CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1

InChIKey

YNNUSGIPVFPVBX-NHCUHLMSSA-N

InChI

InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1

Weigh it out

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

Names and synonyms

6 names

Pyrrolidine, 2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, (2R)-
Pyrrolidine, 2-[2-[(p-chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]-1-methyl-, (+)-
Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,R*)]-
(2R)-2-[2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
Meclastine
(+)-Clemastine

Work with Clemastine

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

(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-140 % similar 1-(4-Chlorophenyl)-1-phenylethanol59767-24-736 % similar 2-(2-Chloroethyl)-N-methylpyrrolidine hydrochloride56824-22-733 % similar Cloperastine3703-76-233 % similar 2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-733 % similar 1-Methyl-2-pyrrolidineethanol67004-64-233 % similar Donormil562-10-732 % similar Buclizine hydrochloride129-74-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook