chempirical

Sibutramine

C17H26ClNCAS 106650-56-0279.85 g/mol

Open in Covalent MOL file
NCl
Aryl halideTertiary amine

Properties

Molecular formula
C17H26ClN
Molar mass
279.85 g/mol
Exact mass
279.1754 Da
logP
4.74Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
106650-56-0
SMILES
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIKey
UNAANXDKBXWMLN-UHFFFAOYSA-N
InChI
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-
  • 1-(4-Chlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)cyclobutanemethanamine
  • Medaria
  • Meridia
  • Racemic sibutramine
  • (±)-Sibutramine
  • CF-Alli
  • Reduxin
  • [1-[1-(4-Chloro-phenyl)-cyclobutyl]-3-methyl-butyl]-dimethyl-amine
  • Counterfeit alli
  • Reductil
  • Butramin
  • Siredia
  • Sibutrex

Work with Sibutramine

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.

Sibutramine hydrochloride84485-00-7Salt Sibutramine hydrochloride monohydrate125494-59-9Salt

Similar compounds

1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride84484-78-658 % similar 1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-836 % similar 1-(p-Chlorophenyl)cyclobutanecarboxylic acid50921-39-634 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-333 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-831 % similar 1,1-Bis(4-chlorophenyl)ethanol80-06-830 % similar Clemastine15686-51-830 % similar 4-Chlorobenzotrichloride5216-25-130 % similar

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

Elsewhere

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