1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine

C14H23NO2S — CID 64644928

IUPAC1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-8-18(16,17)10-14(15-4)13-9-11(2)6-7-12(13)3/h6-7,9,14-15H,5,8,10H2,1-4H3
InChIKeySZYXAIYFPHGNOI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.39
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine

1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine (PubChem CID 64644928) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
PubChem CID64644928
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO2S/c1-5-8-18(16,17)10-14(15-4)13-9-11(2)6-7-12(13)3/h6-7,9,14-15H,5,8,10H2,1-4H3
InChIKeySZYXAIYFPHGNOI-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64645722
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759188
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine (CID 64644928) is 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine is CCCS(=O)(=O)CC(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine?
The InChIKey is SZYXAIYFPHGNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-8-18(16,17)10-14(15-4)13-9-11(2)6-7-12(13)3/h6-7,9,14-15H,5,8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine?
1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.39, 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-propylsulfonylethanamine is sourced from PubChem (CID 64644928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).