2,4,6-Tris(1,1-dimethylethyl)benzenamine

C₁₈H₃₁NCAS 961-38-6261.45 g/mol

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Properties

Molecular formula: C₁₈H₃₁N
Molar mass: 261.45 g/mol
Exact mass: 261.2457 Da
Melting point: 144.5–145.5 °C
logP: 5.16Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

961-38-6

SMILES

CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1

InChIKey

REJGDSCBQPJPQT-UHFFFAOYSA-N

InChI

InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3

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

Names and synonyms

5 names

Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-
Aniline, 2,4,6-tri-tert-butyl-
2,4,6-Tri-tert-butylaniline
2,4,6-Tris(tert-butyl)aniline
2,4,6-Tritert-butylaniline

Work with 2,4,6-Tris(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

2,4,6-Tri-tert-butylphenol732-26-354 % similar 1,3,5-Tri-tert-butylbenzene1460-02-252 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-152 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-848 % similar 3,5-Di-tert-butylcatechol1020-31-147 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-144 % similar 1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene4074-25-344 % similar 2,4-Di-tert-butylphenol96-76-443 % similar

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

Same formula

4-Dodecylaniline104-42-7

Elsewhere

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