2-(1,1-Dimethylethyl)-1H-indole

C₁₂H₁₅NCAS 1805-65-8173.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₅N
Molar mass: 173.26 g/mol
Exact mass: 173.1204 Da
Melting point: 65–69 °C
Boiling point: 85–95 °C (at 0.05 Torr)
logP: 3.47Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

1805-65-8

SMILES

CC(C)(C)c1cc2ccccc2[nH]1

InChIKey

WVPGIDWFLXGCLA-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3

Weigh it out

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

Names and synonyms

4 names

1H-Indole, 2-(1,1-dimethylethyl)-
Indole, 2-tert-butyl-
2-tert-Butylindole
2-tert-Butyl-1H-indole

Work with 2-(1,1-Dimethylethyl)-1H-indole

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

Same formula

1,3,3-Trimethyl-2-methyleneindoline118-12-7 2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2,3,3,5-Tetramethyl-3H-indole25981-82-2 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 Julolidine479-59-4

Elsewhere

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