chempirical

2-tert-Butylaniline

C10H15NCAS 6310-21-0149.24 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
Density
0.9572 g/mL (at 25 °C)
Melting point
158–161 °C
Boiling point
234 °C
logP
2.57Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
6310-21-0
SMILES
CC(C)(C)c1ccccc1N
InChIKey
AEIOZWYBDBVCGW-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3

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

Names and synonyms

8 names
  • Benzenamine, 2-(1,1-dimethylethyl)-
  • Aniline, o-tert-butyl-
  • 2-(1,1-Dimethylethyl)benzenamine
  • 1-Amino-2-tert-butylbenzene
  • o-tert-Butylaniline
  • NSC 43044
  • 2-(1,1-Dimethylethyl)aniline
  • 2-tert-Butylphenylamine

Work with 2-tert-Butylaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)aniline88-17-554 % similar 2-tert-Butylphenol88-18-648 % similar 2,6-Di-tert-butylphenol128-39-244 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-043 % similar O-Toluidine95-53-442 % similar 5-Amino-2,4-bis(1,1-dimethylethyl)phenol873055-58-442 % similar 2,6-Diaminotoluene823-40-540 % similar tert-Butylbenzene98-06-640 % similar

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

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-1 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2

Elsewhere

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