5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline

C₁₇H₂₀N₂O₂SCAS 1220033-79-3316.42 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₇H₂₀N₂O₂S
Molar mass: 316.42 g/mol
Exact mass: 316.1245 Da
logP: 3.15Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1220033-79-3

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N2CCCC3=CC=CC=C32)N

InChIKey

FBFFSNXFHRJUPT-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N2O2S/c1-2-22(20,21)17-10-9-14(12-15(17)18)19-11-5-7-13-6-3-4-8-16(13)19/h3-4,6,8-10,12H,2,5,7,11,18H2,1H3

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

Work with 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline

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

5-(2,3-Dihydro-1H-indol-1-yl)-2-(ethylsulfonyl)-phenylamine1219976-14-387 % similar 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)aniline1220039-20-273 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-960 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-259 % similar N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-157 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-356 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-756 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-255 % similar

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

Same formula

5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine1220039-24-6 Dioxopromethazine13754-56-8

Elsewhere

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