chempirical

Clomiphene

C26H28ClNOCAS 911-45-5405.97 g/mol

Open in Covalent MOL file
NOCl
AlkeneEtherTertiary amineVinyl halide

Properties

Molecular formula
C26H28ClNO
Molar mass
405.97 g/mol
Exact mass
405.1859 Da
logP
6.56Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
911-45-5
SMILES
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
InChIKey
GKIRPKYJQBWNGO-UHFFFAOYSA-N
InChI
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3

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Names and synonyms

9 names
  • Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-
  • Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-
  • 2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine
  • 2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine
  • 2-[p-(β-Chloro-α-phenylstyryl)phenoxy]triethylamine
  • Clomifene
  • 1-(p-β-Diethylaminoethoxyphenyl)-1,2-diphenyl-2-chloroethylene
  • Clomiphene B
  • 2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine

Work with Clomiphene

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

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

Same formula

Enclomiphene15690-57-0 Toremifene89778-26-7

Elsewhere

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