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

C₁₅H₂₃Cl₂NCAS 84484-78-6288.26 g/mol

Open in Covalent MOL file

Aryl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H371 May cause damage to organs50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P308+P316, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, P501

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

Weigh it out

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

Names and synonyms

6 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
Didesmethylsibutramine 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-(p-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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