3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole

C₁₇H₁₆FNCAS 93957-49-4253.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₆FN
Molar mass: 253.32 g/mol
Exact mass: 253.1267 Da
Melting point: 94–95 °C
logP: 5.03Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

93957-49-4

SMILES

CC(C)n1cc(-c2ccc(F)cc2)c2ccccc21

InChIKey

ZDZJOIIBECYKAJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3

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Names and synonyms

3 names

1H-Indole, 3-(4-fluorophenyl)-1-(1-methylethyl)-
1-Isopropyl-3-(4-fluorophenyl)indole
3-(4-Fluorophenyl)-1-isopropyl-1H-indole

Work with 3-(4-Fluorophenyl)-1-(1-methylethyl)-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

(2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal93957-50-747 % similar 3-(4-Fluoro-phenyl)-1H-indole101125-32-040 % similar 4-Fluorobiphenyl324-74-336 % similar Fluvastatin93957-54-134 % similar Rel-methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate93957-53-032 % similar Fluvastatin sodium93957-55-232 % similar 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-232 % similar 2,4-Difluoro-1,1′-biphenyl37847-52-230 % similar

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

Elsewhere

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