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

C₁₆H₁₈N₂O₂SCAS 1220039-20-2302.39 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₆H₁₈N₂O₂S
Molar mass: 302.39 g/mol
Exact mass: 302.1089 Da
logP: 2.76Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1220039-20-2

SMILES

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

InChIKey

GQXFWSYHGCQIQH-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2O2S/c1-21(19,20)16-9-8-13(11-14(16)17)18-10-4-6-12-5-2-3-7-15(12)18/h2-3,5,7-9,11H,4,6,10,17H2,1H3

Weigh it out

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

Work with 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)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-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline1220033-79-373 % similar N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-856 % similar 4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-253 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-050 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-449 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-449 % similar 4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone1220039-18-848 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-348 % similar

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

Same formula

5-(2,3-Dihydro-1H-indol-1-yl)-2-(ethylsulfonyl)-phenylamine1219976-14-3 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-4

Elsewhere

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