chempirical

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2CAS 191171-55-8219.09 g/mol

Open in Covalent MOL file
OBH2NO
Boronic esterPrimary amine

Properties

Molecular formula
C12H18BNO2
Molar mass
219.09 g/mol
Exact mass
219.1431 Da
Melting point
67–68 °C
logP
1.57Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
191171-55-8
SMILES
CC1(C)OB(c2ccccc2N)OC1(C)C
InChIKey
ZCJRWQDZPIIYLM-UHFFFAOYSA-N
InChI
InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3

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Names and synonyms

5 names
  • Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamine
  • 2-(2-Aminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Work with 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)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-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-461 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-059 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-649 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole1088118-97-149 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-249 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-447 % similar 4-Pinacol ester-9,9-dipehnylfluorene1259280-37-945 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-745 % similar

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

Same formula

2-Methylpyridine-3-boronic acid pinacol ester1012084-56-8 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-8

Elsewhere

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