chempirical

(4-Bromobenzyl)methylamine

C8H10BrNCAS 699-03-6200.08 g/mol

Open in Covalent MOL file
NHBr
Aryl halideSecondary amine

Properties

Molecular formula
C8H10BrN
Molar mass
200.08 g/mol
Exact mass
198.9997 Da
logP
2.17Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
699-03-6
SMILES
CNCC1=CC=C(C=C1)Br
InChIKey
URFJXIULELMVHV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3

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Names and synonyms

1 names
  • Benzenemethanamine, 4-bromo-N-methyl-

Work with (4-Bromobenzyl)methylamine

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

(3-Bromobenzyl)methylamine67344-77-859 % similar N-Methylbenzylamine103-67-356 % similar 4-Chloro-N-methylbenzenemethanamine104-11-056 % similar 4-Amino-N-methylbenzenemethanamine38020-69-856 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-356 % similar N-Methyl-4-pyridinemethanamine6971-44-452 % similar N-Methyl-4-methoxybenzylamine702-24-952 % similar 1-Bromo-4-ethylbenzene1585-07-550 % 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 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

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