N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine

C₁₃H₂₂N₂O₂SCAS 1219957-17-1270.39 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₃H₂₂N₂O₂S
Molar mass: 270.39 g/mol
Exact mass: 270.1402 Da
logP: 2.30Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

1219957-17-1

SMILES

CCCCN(C)C1=CC(=C(C=C1)S(=O)(=O)CC)N

InChIKey

MFUWLWBCLNWSEJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H22N2O2S/c1-4-6-9-15(3)11-7-8-13(12(14)10-11)18(16,17)5-2/h7-8,10H,4-6,9,14H2,1-3H3

Weigh it out

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

Work with N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine

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

4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-769 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-967 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-366 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-265 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-261 % similar N1-Cyclohexyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1220033-94-260 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-059 % similar N1-Cyclohexyl-N1-ethyl-4-(ethylsulfonyl)-1,3-benzenediamine1219972-64-159 % similar

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

Same formula

4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-2 N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-0

Elsewhere

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