chempirical

2-Methyl-1-octyl-1H-indole

C17H25NCAS 42951-39-3243.39 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C17H25N
Molar mass
243.39 g/mol
Exact mass
243.1987 Da
logP
5.31Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
42951-39-3
SMILES
CCCCCCCCn1c(C)cc2ccccc21
InChIKey
MOVCYDNEZZZSLV-UHFFFAOYSA-N
InChI
InChI=1S/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole, 2-methyl-1-octyl-
  • 2-Methyl-1-octylindole
  • 2-Methyl-N-octylindole
  • 2-Methyl-1-n-octylindole
  • 1-Octyl-2-methylindole
  • 1-n-Octyl-2-methylindole

Work with 2-Methyl-1-octyl-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

Similar compounds

1-Butyl-2-methyl-1H-indole42951-35-988 % similar 1-Ethyl-2-methyl-1H-indole40876-94-661 % similar Dequalinium chloride522-51-049 % similar 1,2-Dimethylindole875-79-645 % similar 1-Ethyl-2-phenyl-1H-indole13228-39-240 % similar Decylbenzene104-72-338 % similar Hexylbenzene1077-16-338 % similar Heptylbenzene1078-71-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook