chempirical

(αS)-4-Bromo-α-methylbenzenemethanamine

C8H10BrNCAS 27298-97-1200.08 g/mol

Open in Covalent MOL file
H2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
Melting point
171.5–172.5 °C
Boiling point
60–62 °C (at 0.3 Torr)
logP
2.47Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
27298-97-1
SMILES
C[C@H](N)c1ccc(Br)cc1
InChIKey
SOZMSEPDYJGBEK-LURJTMIESA-N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenemethanamine, 4-bromo-α-methyl-, (αS)-
  • Benzylamine, p-bromo-α-methyl-, (S)-(-)-
  • Benzenemethanamine, 4-bromo-α-methyl-, (S)-
  • (-)-p-Bromo-α-phenethylamine
  • S-(-)-α-Methyl-p-bromobenzylamine
  • (-)-1-(4-Bromophenyl)ethylamine
  • (S)-1-(4-Bromophenyl)ethylamine
  • (-)-1-(p-Bromophenyl)ethylamine
  • (S)-4-Bromo-α-methylbenzylamine
  • (S)-(4-Bromophenyl)ethylamine
  • (-)-(S)-1-(4-Bromophenyl)ethylamine
  • [(1S)-1-(4-Bromophenyl)ethyl]amine
  • [(S)-(-)-1-(4-Bromophenyl)ethyl]amine
  • (S)-1-(4-Bromophenyl)ethanamine
  • (1S)-1-(4-Bromophenyl)ethanamine
  • (1S)-1-(4-Bromophenyl)ethan-1-amine
  • (S)-1-(4-Bromophenyl)ethan-1-amine

Work with (αS)-4-Bromo-α-methylbenzenemethanamine

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-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (+)-Phenylethylamine3886-69-956 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenylethylamine98-84-056 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-356 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-856 % similar 1-(4-Fluorophenyl)ethylamine403-40-756 % similar

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

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 3-Bromo-N,N-dimethylaniline16518-62-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 2-Bromo-4,6-dimethylbenzenamine41825-73-4 4-Bromo-2-ethylaniline45762-41-2 (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-4 4-Bromo-N′,N′-dimethylaniline586-77-6

Elsewhere

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