2-Bromo-5-methylaniline

C7H8BrNCAS 53078-85-6186.05 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
2.34Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
53078-85-6
SMILES
CC1=CC(=C(C=C1)Br)N
InChIKey
QTAQWOXSUFGGKH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

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Names and synonyms

1 names
  • 2-Bromo-5-methylbenzenamine

Work with 2-Bromo-5-methylaniline

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

2-Bromo-4-methylaniline583-68-669 % similar 3,4-Diaminotoluene496-72-060 % similar 1,2-Dibromo-4-methylbenzene60956-23-260 % similar 2,5-Dibromoaniline3638-73-156 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 2,5-Xylidine95-78-356 % similar 4-Bromo-3-chlorotoluene6627-51-654 % similar 2-Bromo-5-methoxybenzenamine59557-92-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 5-Bromo-2,3-dimethylpyridine27063-90-7 3-Bromo-2,4-dimethylpyridine27063-93-0 3-Bromo-2,6-dimethylpyridine3430-31-7 5-Bromo-o-toluidine39478-78-9 2-Bromobenzylamine3959-05-5 4-Bromobenzenemethanamine3959-07-7

Elsewhere

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