N1-Benzyl-N1-methyl-4-(methylsulfonyl)-1,3-benzenediamine

C₁₅H₁₈N₂O₂SCAS 1220028-73-8290.38 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₅H₁₈N₂O₂S
Molar mass: 290.38 g/mol
Exact mass: 290.1089 Da
logP: 2.31Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

1220028-73-8

SMILES

CN(CC1=CC=CC=C1)C2=CC(=C(C=C2)S(=O)(=O)C)N

InChIKey

XBYDQPNKANGTKK-UHFFFAOYSA-N

InChI

InChI=1S/C15H18N2O2S/c1-17(11-12-6-4-3-5-7-12)13-8-9-15(14(16)10-13)20(2,18)19/h3-10H,11,16H2,1-2H3

Weigh it out

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

Work with N1-Benzyl-N1-methyl-4-(methylsulfonyl)-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-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-072 % similar N1-Methyl-4-(methylsulfonyl)-N1-(tetrahydro-2H-pyran-4-ylmethyl)-1,3-benzenediamine1219957-13-759 % similar 5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-458 % similar 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)aniline1220039-20-256 % similar 4-(Methylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1220033-60-255 % similar N1-Cyclohexyl-N1-ethyl-4-(methylsulfonyl)-1,3-benzenediamine1220017-67-353 % similar 1-[3-Amino-4-(methylsulfonyl)phenyl]-4-piperidinol1219957-10-451 % similar 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine1219957-19-349 % similar

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

Same formula

5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide51123-09-2

Elsewhere

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