4-Bromo-3,5-dimethylaniline

C8H10BrNCAS 59557-90-3200.08 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
2.65Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59557-90-3
SMILES
CC1=CC(=CC(=C1Br)C)N
InChIKey
OGBPXDJLNYCSJH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3

Weigh it out

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Work with 4-Bromo-3,5-dimethylaniline

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-3-methylaniline6933-10-458 % similar Mesityl bromide576-83-057 % similar 3,4-Xylidine95-64-754 % similar 2-Bromo-1,3-dimethylbenzene576-22-752 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-652 % similar 4-Fluoro-3,5-dimethylaniline1840-27-352 % similar 4-Bromo-3,5-dimethylphenol7463-51-652 % similar 2,2′-Dimethylbenzidine84-67-352 % 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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