2-({4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-2-pyridinyl}oxy)-N,N-dimethyl-1-ethanamine
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Basic information
- CAS
339276-87-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCCN(C)C)n1- InChIKey
YWIGMJPHOJBCPJ-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3S
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.15076381
Names & identifiers
- Preferred name
- 2-({4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-2-pyridinyl}oxy)-N,N-dimethyl-1-ethanamine
- IUPAC
- 2-[[4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinyl]oxy]-N,N-dimethylethanamine
- English name
- 2-((4,6-DIMETHYL-3-[(2-METHYLPHENYL)SULFONYL]-2-PYRIDINYL)OXY)-N,N-DIMETHYL-1-ETHANAMINE
- Molecular formula
- C18H24N2O3S
- Molecular weight
- 348.46
Names & synonyms
339276-87-82-({4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-2-pyridinyl}oxy)-N,N-dimethyl-1-ethanamine(2-{[4,6-dimethyl-3-(2-methylbenzenesulfonyl)pyridin-2-yl]oxy}ethyl)dimethylamine2-[4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-yl]oxy-N,N-dimethylethanamineOprea1_190813MLS001165195CHEMBL1888861HMS2864G09AKOS0050900604K-328SSMR0005497862-((4,6-Dimethyl-3-(o-tolylsulfonyl)pyridin-2-yl)oxy)-N,N-dimethylethan-1-amine
Show more names
Ethanamine, 2-[[4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-2-pyridinyl]oxy]-N,N-dimethyl-2-((4,6-DIMETHYL-3-[(2-METHYLPHENYL)SULFONYL]-2-PYRIDINYL)OXY)-N,N-DIMETHYL-1-ETHANAMINEN-[2-((4,6-DIMETHYL-3-[(2-METHYLPHENYL)SULFONYL]-2-PYRIDINYL)OXY)ETHYL]-N,N-DIMETHYLAMINE
Database identifiers
- CAS
339276-87-8- PubChem CID
- 1476541
- ChEMBL
CHEMBL1888861
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
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Compound notes
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