1-Butyl-2-methyl-1H-indole

C₁₃H₁₇NCAS 42951-35-9187.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₇N
Molar mass: 187.29 g/mol
Exact mass: 187.1361 Da
logP: 3.75Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

42951-35-9

SMILES

CCCCn1c(C)cc2ccccc21

InChIKey

OPAHUBUOHKIOOL-UHFFFAOYSA-N

InChI

InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3

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

Names and synonyms

3 names

1H-Indole, 1-butyl-2-methyl-
1-Butyl-2-methylindole
1-n-Butyl-2-methylindole

Work with 1-Butyl-2-methyl-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

2-Methyl-1-octyl-1H-indole42951-39-388 % similar 1-Ethyl-2-methyl-1H-indole40876-94-665 % similar 1,2-Dimethylindole875-79-647 % similar Dequalinium chloride522-51-044 % similar 1-Ethyl-2-phenyl-1H-indole13228-39-241 % similar 2-Butylbenzofuran4265-27-435 % similar n-Butylbenzene104-51-834 % similar 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-933 % similar

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

Same formula

Selegiline14611-51-9 1,2,3,4,5,6,7,8-Octahydroacridine1658-08-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook