4-Bromo-N-isopropylamphetamine hydrochloride

C₁₂H₁₉BrClNCAS 109971-39-3292.64 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₉BrClN
Molar mass: 292.64 g/mol
Exact mass: 291.0389 Da
logP: 3.80Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

109971-39-3

SMILES

CC(C)NC(C)CC1=CC=C(C=C1)Br.Cl

InChIKey

RVDPTMDJNCSWST-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BrN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H

Weigh it out

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

Work with 4-Bromo-N-isopropylamphetamine 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

1-Bromo-4-(2-methylpropyl)benzene2051-99-250 % similar N,α-Dimethylphenethylamine hydrochloride300-42-544 % similar 4-Bromobenzylamine hydrochloride26177-44-642 % similar 1-Bromo-4-ethylbenzene1585-07-537 % similar 1-Bromo-4-propylbenzene588-93-236 % similar Diisopropylammonium chloride819-79-435 % similar p-Bromophenylhydrazine hydrochloride41931-18-435 % similar 4-Bromophenylhydrazine hydrochloride622-88-835 % similar

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

Elsewhere

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