chempirical

3-(1,1-Dimethylethyl)benzenamine

C10H15NCAS 5369-19-7149.24 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
Boiling point
83–84 °C (at 2 Torr)
logP
2.57Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
5369-19-7
SMILES
CC(C)(C)c1cccc(N)c1
InChIKey
DPKTVUKEPNBABS-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 3-(1,1-dimethylethyl)-
  • Aniline, m-tert-butyl-
  • 3-tert-Butylaniline
  • m-tert-Butylaniline
  • 3-tert-Butylphenylamine
  • 3-(1,1-Dimethylethyl)aniline

Work with 3-(1,1-Dimethylethyl)benzenamine

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

1,3-Di-tert-butylbenzene1014-60-465 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-160 % similar 3-(Trifluoromethyl)aniline98-16-857 % similar 4-tert-Butylaniline769-92-654 % similar M-Phenylenediamine108-45-252 % similar 3-tert-Butylphenol585-34-252 % similar tert-Butylbenzene98-06-648 % similar M-Toluidine108-44-146 % 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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