chempirical

4-Bromo-2-methylbenzylamine

C8H10BrNCAS 376646-62-7200.08 g/mol

Open in Covalent MOL file
BrNH2
Aryl halidePrimary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
logP
2.22Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
376646-62-7
SMILES
CC1=C(C=CC(=C1)Br)CN
InChIKey
CRDQDMSHRCFAAW-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5,10H2,1H3

Weigh it out

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Work with 4-Bromo-2-methylbenzylamine

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

(4-Bromo-2-methylphenyl)methanol17100-58-261 % similar 2,4-Dimethylbenzenemethanamine94-98-460 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-256 % similar 4-Bromo-o-xylene583-71-154 % similar 4-Bromo-2-methylaniline583-75-552 % similar 4-Bromo-2-fluorobenzylamine hydrochloride147181-08-651 % similar 2,5-Dibromotoluene615-59-850 % similar 2-Methylbenzylamine89-93-050 % 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 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

Elsewhere

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