2,5-Diethoxy-4-[(4-methylphenyl)thio]benzenamine

C₁₇H₂₁NO₂SCAS 68400-48-6303.42 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfide

Properties

Molecular formula: C₁₇H₂₁NO₂S
Molar mass: 303.42 g/mol
Exact mass: 303.1293 Da
logP: 4.53Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

68400-48-6

SMILES

CCOc1cc(Sc2ccc(C)cc2)c(OCC)cc1N

InChIKey

ONYJVUIBPVYRDL-UHFFFAOYSA-N

InChI

InChI=1S/C17H21NO2S/c1-4-19-15-11-17(16(20-5-2)10-14(15)18)21-13-8-6-12(3)7-9-13/h6-11H,4-5,18H2,1-3H3

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Names and synonyms

2 names

Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-
2,5-Diethoxy-4-((4-methylphenyl)thio)aniline

Work with 2,5-Diethoxy-4-[(4-methylphenyl)thio]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

2,5-Diethoxyaniline94-85-944 % similar 2,5-Diethoxy-4-(4-morpholinyl)benzenamine51963-82-742 % similar 2-Ethoxyaniline94-70-240 % similar 2-Ethoxy-4-methylphenol2563-07-740 % similar Fast blue bb120-00-339 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-438 % similar Para-cresidine120-71-837 % similar 4-Ethoxy-3-pyridinamine1633-43-837 % similar

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

Elsewhere

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