N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine

C16H20N2O2SCAS 1220033-84-0304.41 g/mol

Open in Covalent MOL file
NSOONH2
Primary amineSulfoneTertiary amine

Properties

Molecular formula
C16H20N2O2S
Molar mass
304.41 g/mol
Exact mass
304.1245 Da
logP
2.70Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1220033-84-0
SMILES
CCN(Cc1ccccc1)c1ccc(S(C)(=O)=O)c(N)c1
InChIKey
GSHUIJTXTBFPCT-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2O2S/c1-3-18(12-13-7-5-4-6-8-13)14-9-10-16(15(17)11-14)21(2,19)20/h4-11H,3,12,17H2,1-2H3

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Names and synonyms

2 names
  • 1,3-Benzenediamine, N1-ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-
  • N1-Benzyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine

Work with N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-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

N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine1220028-73-872 % similar 4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-262 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-461 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-356 % similar 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine1219957-19-355 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-454 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-253 % similar 4-[3-Amino-4-(methylsulfonyl)phenyl]-2-piperazinone1220039-18-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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