2-Bromo-4-(tert-butyl)aniline

C₁₀H₁₄BrNCAS 103273-01-4228.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₀H₁₄BrN
Molar mass: 228.13 g/mol
Exact mass: 227.0310 Da
logP: 3.33Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

103273-01-4

SMILES

CC(C)(C)C1=CC(=C(C=C1)N)Br

InChIKey

OLKYFBNIFKQRIZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3

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

Names and synonyms

1 names

2-Bromo-4-tert-butylaniline

Work with 2-Bromo-4-(tert-butyl)aniline

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-trifluoromethylaniline57946-63-161 % similar 2-Bromo-4-tert-butylphenol2198-66-556 % similar 2-Amino-4-tert-butylphenol1199-46-852 % similar 2,4-Dibromoaniline615-57-650 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-647 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-147 % similar 4-Chloro-3,5-dibromo-tert-butylbenzene1000578-25-547 % similar 2-Bromo-4-fluoroaniline1003-98-147 % similar

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

Same formula

4-Bromo-N,N-diethylbenzenamine2052-06-4

Elsewhere

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