2-Bromo-6-methylaniline

C7H8BrNCAS 53848-17-2186.05 g/mol

Open in Covalent MOL file
BrH2N
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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53848-17-2
SMILES
CC1=C(C(=CC=C1)Br)N
InChIKey
LDUCMSVRKKDATH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-6-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

2,6-Xylidine87-62-768 % similar 2,6-Dibromoaniline608-30-064 % similar 2,6-Dimethylaniline hydrochloride21436-98-660 % similar 2,3-Diaminotoluene2687-25-458 % similar 2-Chloro-6-methylaniline87-63-856 % similar 2-Bromotoluene95-46-554 % similar 1-Bromo-2,3-dimethylbenzene576-23-854 % similar 2-Amino-3-methylphenol2835-97-454 % 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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