chempirical

3,5-Bis(1,1-dimethylethyl)benzenamine

C14H23NCAS 2380-36-1205.34 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C14H23N
Molar mass
205.34 g/mol
Exact mass
205.1830 Da
Melting point
56 °C
logP
3.86Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2380-36-1
SMILES
CC(C)(C)c1cc(N)cc(C(C)(C)C)c1
InChIKey
MJKNHXCPGXUEDO-UHFFFAOYSA-N
InChI
InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3

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

Names and synonyms

7 names
  • Benzenamine, 3,5-bis(1,1-dimethylethyl)-
  • Aniline, 3,5-di-tert-butyl-
  • 3,5-Di-tert-butylaniline
  • (3,5-Di-tert-butylphenyl)amine
  • 3,5-Bis-tert-butylbenzeneamine
  • 3,5-Di(1,1-dimethylethyl)aniline
  • 3,5-Ditert-butylaniline

Work with 3,5-Bis(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

1,3,5-Tri-tert-butylbenzene1460-02-267 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-760 % similar 4-tert-Butylaniline769-92-657 % similar 3,5-Di-tert-butyltoluene15181-11-052 % similar 2,4,6-Tris(1,1-dimethylethyl)benzenamine961-38-652 % similar 3,5-Di-tert-butylphenol1138-52-950 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-950 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar

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

Same formula

4-Octylbenzenamine16245-79-7 4-(1-Butylpentyl)pyridine2961-47-9 2,6-Di-tert-butyl-4-methylpyridine38222-83-2 N,N-Dibutylbenzenamine613-29-6

Elsewhere

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