chempirical

3-Bromobenzylamine

C7H8BrNCAS 10269-01-9186.05 g/mol

Open in Covalent MOL file
BrNH2
Aryl halidePrimary amine

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
logP
1.91Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
10269-01-9
SMILES
C1=CC(=CC(=C1)Br)CN
InChIKey
SUYJXERPRICYRX-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

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Names and synonyms

1 names
  • Benzenemethanamine, 3-bromo-

Work with 3-Bromobenzylamine

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

M-Xylylenediamine1477-55-065 % similar 3-Bromobenzyl bromide823-78-959 % similar 3-Bromobenzenemethanol15852-73-057 % similar 1-Bromo-3-ethylbenzene2725-82-857 % similar 3-Fluorobenzylamine100-82-354 % similar 3-Chlorobenzylamine4152-90-354 % similar 3-Aminobenzylamine4403-70-754 % similar 1,3-Dibromobenzene108-36-152 % similar

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

Same formula

4-Bromo-2,3-dimethylpyridine259807-91-5 3-Bromo-2,4-dimethylpyridine27063-93-0 5-Bromo-2-methylbenzenamine39478-78-9 4-Bromobenzenemethanamine3959-07-7 2-Bromo-3-methylbenzenamine54879-20-8 3-Bromo-2-methylaniline55289-36-6 2-Bromo-4-methylaniline583-68-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

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