(S)-1-(3-Bromophenyl)ethylamine

C₈H₁₀BrNCAS 139305-96-7200.08 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: Sin SMILES atom order

Identifiers

CAS number

139305-96-7

SMILES

C[C@@H](C1=CC(=CC=C1)Br)N

InChIKey

LIBZHYLTOAGURM-LURJTMIESA-N

InChI

InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1

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Names and synonyms

1 names

(S)-1-(3-Bromophenyl)ethanamine

Work with (S)-1-(3-Bromophenyl)ethylamine

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-(3-Bromophenyl)ethanol134615-24-056 % similar 1-(3-Bromophenyl)ethanol52780-14-056 % similar (+)-Phenylethylamine3886-69-954 % similar 1-Phenylethylamine98-84-054 % similar 3-Methoxy-α-methylbenzenemethanamine62409-13-653 % similar (αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-853 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-753 % similar (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-651 % similar

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

Same formula

3-Bromo-N,N-dimethylaniline16518-62-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 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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