2,3,3-Trimethylindolenine

C₁₁H₁₃NCAS 1640-39-7159.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃N
Molar mass: 159.23 g/mol
Exact mass: 159.1048 Da
Melting point: 156 °C
Boiling point: 115 °C (at 12 Torr)
logP: 3.07Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1640-39-7

SMILES

CC1=Nc2ccccc2C1(C)C

InChIKey

FLHJIAFUWHPJRT-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

5 names

3H-Indole, 2,3,3-trimethyl-
2,3,3-Trimethyl-3H-indole
2,3,3-Trimethylindole
NSC 65633
2,3,3-Trimethyl-3H-indolenine

Work with 2,3,3-Trimethylindolenine

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

2,3,3,5-Tetramethyl-3H-indole25981-82-256 % similar 5-Chloro-2,3,3-trimethyl-3H-indole25981-83-355 % similar 1,1,2-Trimethyl-1H-benz[E]indole41532-84-753 % similar 2,3,3-Trimethyl-5-nitroindolenine3484-22-846 % similar N-[2-(Trifluoromethyl)phenyl]acetamide344-62-746 % similar 2-Methyl-2-phenylpropanoic acid826-55-135 % similar N-(2-Methylphenyl)acetamide120-66-134 % similar N-(2-Bromophenyl)acetamide614-76-634 % similar

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

Same formula

1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-9 4-Butylbenzonitrile20651-73-4 2,4,6-Trimethylbenzeneacetonitrile34688-71-6 1-Ethyl-2-methyl-1H-indole40876-94-6 4-(1,1-Dimethylethyl)benzonitrile4210-32-6

Elsewhere

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