1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine

C16H27NO2S — CID 107759188

IUPAC1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
SMILESCNC(CS(=O)(=O)C(C)C(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO2S/c1-11(2)14(5)20(18,19)10-16(17-6)15-9-12(3)7-8-13(15)4/h7-9,11,14,16-17H,10H2,1-6H3
InChIKeyWAEXIPYJWCDELS-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.02
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine

1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine (PubChem CID 107759188) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
PubChem CID107759188
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
SMILESCNC(CS(=O)(=O)C(C)C(C)C)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO2S/c1-11(2)14(5)20(18,19)10-16(17-6)15-9-12(3)7-8-13(15)4/h7-9,11,14,16-17H,10H2,1-6H3
InChIKeyWAEXIPYJWCDELS-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
CID 64644928
1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64645722
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine (CID 107759188) is 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine is CNC(CS(=O)(=O)C(C)C(C)C)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
The InChIKey is WAEXIPYJWCDELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-11(2)14(5)20(18,19)10-16(17-6)15-9-12(3)7-8-13(15)4/h7-9,11,14,16-17H,10H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine?
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine is sourced from PubChem (CID 107759188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).