chempirical

1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride

C15H23Cl2NCAS 84484-78-6288.26 g/mol

Open in Covalent MOL file
NH2ClHCl
Aryl halidePrimary amine

Properties

Molecular formula
C15H23Cl2N
Molar mass
288.26 g/mol
Exact mass
287.1208 Da
logP
4.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
84484-78-6
SMILES
CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIKey
KHRVYINTXCWNRF-UHFFFAOYSA-N
InChI
InChI=1S/C15H22ClN.ClH/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11,14H,3,8-10,17H2,1-2H3;1H

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

Names and synonyms

5 names
  • Cyclobutanemethanamine, 1-(4-chlorophenyl)-α-(2-methylpropyl)-, hydrochloride (1:1)
  • Cyclobutanemethanamine, 1-(4-chlorophenyl)-α-(2-methylpropyl)-, hydrochloride
  • BTS 54-505
  • [1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutan-1-yl]amine hydrochloride
  • Didemethylsibutramine hydrochloride

Work with 1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride

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

Sibutramine hydrochloride84485-00-764 % similar Sibutramine hydrochloride monohydrate125494-59-960 % similar Sibutramine106650-56-058 % similar 1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-835 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-633 % similar 4-Chlorobenzhydrylamine hydrochloride5267-39-033 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-333 % similar (-)-1-(4-Chlorophenyl)ethylamine4187-56-833 % similar

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

Elsewhere

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