chempirical

1-Acetyl-6-amino-3,3-dimethylindoline

C12H16N2OCAS 453562-71-5204.27 g/mol

Open in Covalent MOL file
ONNH2
AmidePrimary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
logP
1.91Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
453562-71-5
SMILES
CC(=O)N1CC(C)(C)c2ccc(N)cc21
InChIKey
FDFKETITWKJRNI-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6H,7,13H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1-(6-amino-2,3-dihydro-3,3-dimethyl-1H-indol-1-yl)-
  • 1H-Indol-6-amine, 1-acetyl-2,3-dihydro-3,3-dimethyl-
  • 1-(6-Amino-2,3-dihydro-3,3-dimethyl-1H-indol-1-yl)ethanone
  • 1-(6-Amino-3,3-dimethyl-2,3-dihydroindol-1-yl)ethanone
  • 1-(6-Amino-3,3-dimethylindolin-1-yl)ethanone
  • 1-Acetyl-3,3-dimethylindolin-6-amine
  • 1-Acetyl-6-amino-3,3-dimethyl-2,3-dihydroindole
  • 1-(6-Amino-3,3-dimethyl-2H-indol-1-yl)ethanone
  • 1-(6-Amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Work with 1-Acetyl-6-amino-3,3-dimethylindoline

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-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-850 % similar 1-(3-Amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone84803-67-844 % similar 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine92050-16-343 % similar N-(4-Aminophenyl)-N-methylacetamide119-63-138 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-838 % similar 1-Acetylindoline16078-30-133 % similar 1-Acetyl-5-bromoindoline22190-38-133 % similar 1-Acetyl-3-indolinone16800-68-333 % similar

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

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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