4-[(Ethylphenylamino)methyl]benzenesulfonic acid

C₁₅H₁₇NO₃SCAS 92-60-4291.37 g/mol

Open in Covalent MOL file

Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₅H₁₇NO₃S
Molar mass: 291.37 g/mol
Exact mass: 291.0929 Da
logP: 2.96Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

92-60-4

SMILES

CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccccc1

InChIKey

HSBRAZWXTOKJQF-UHFFFAOYSA-N

InChI

InChI=1S/C15H17NO3S/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-
p-Toluenesulfonic acid, α-(N-ethylanilino)-
α-(N-Ethylanilino)-p-toluenesulfonic acid
NSC 8644

Work with 4-[(Ethylphenylamino)methyl]benzenesulfonic acid

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

Ethylbenzylaniline92-59-161 % similar 4-Ethylbenzenesulfonic acid98-69-151 % similar 4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-549 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-848 % similar Diethylaniline91-66-747 % similar Benzenesulfonic acid98-11-347 % similar [1,1′-Biphenyl]-4-sulfonic acid2113-68-046 % similar N1-Ethyl-4-(methylsulfonyl)-N1-(phenylmethyl)-1,3-benzenediamine1220033-84-043 % similar

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

Same formula

3-[(Ethylphenylamino)methyl]benzenesulfonic acid101-11-1

Elsewhere

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