(αR)-4-Bromo-α-methylbenzenemethanamine

C₈H₁₀BrNCAS 45791-36-4200.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
logP: 2.47Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed87% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H411 Toxic to aquatic life with long lasting effects87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

45791-36-4

SMILES

C[C@@H](N)c1ccc(Br)cc1

InChIKey

SOZMSEPDYJGBEK-ZCFIWIBFSA-N

InChI

InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

Benzenemethanamine, 4-bromo-α-methyl-, (αR)-
Benzenemethanamine, 4-bromo-α-methyl-, (R)-
(R)-(+)-α-Methyl-p-bromobenzylamine
(+)-1-p-Bromophenylethylamine
(+)-1-(4-Bromophenyl)ethylamine
(R)-1-(4-Bromophenyl)ethylamine
(R)-α-Methyl-p-bromobenzylamine
(R)-4-Bromo-α-methylbenzylamine
(+)-(R)-1-(4-Bromophenyl)ethylamine
(1R)-1-(4-Bromophenyl)ethanamine
(R)-1-(4-Bromophenyl)ethanamine
[(R)-(+)-1-(4-Bromophenyl)ethyl]amine
(1R)-1-(4-Bromophenyl)ethan-1-amine
(R)-4-Bromo-alpha-methylbenzylamine

Work with (αR)-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

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.

(αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1Enantiomer 1-(4-Bromophenyl)ethylamine24358-62-1Stereo not defined

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (S)-α-Phenethylamine2627-86-356 % similar (R)-α-Phenethylamine3886-69-956 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenethylamine618-36-056 % similar 1-Phenylethylamine98-84-056 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-356 % 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 (R)-1-(3-Bromophenyl)ethanamine176707-77-0 4-Bromo-2,6-dimethylbenzenamine24596-19-8 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

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