5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine

C₁₇H₂₀N₂O₂SCAS 1220039-24-6316.42 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: 2.63Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1220039-24-6

SMILES

CCS(=O)(=O)c1ccc(N2CCc3ccccc3C2)cc1N

InChIKey

DHNXUIBDBLXWOI-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzenamine, 5-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)-

Work with 5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine

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-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-471 % similar 5-(2,3-Dihydro-1H-indol-1-yl)-2-(ethylsulfonyl)-phenylamine1219976-14-369 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-966 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-765 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-265 % similar 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine1219957-19-364 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-264 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-062 % similar

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

Same formula

5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline1220033-79-3 Dioxopromethazine13754-56-8

Elsewhere

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