1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine

C14H23NO3S — CID 64645722

IUPAC1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)CCOC)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO3S/c1-11-5-6-12(2)13(9-11)14(15-3)10-19(16,17)8-7-18-4/h5-6,9,14-15H,7-8,10H2,1-4H3
InChIKeyMKMSXPAKZPKZKP-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.63
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine

1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine (PubChem CID 64645722) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
PubChem CID64645722
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)CCOC)c1cc(C)ccc1C
InChIInChI=1S/C14H23NO3S/c1-11-5-6-12(2)13(9-11)14(15-3)10-19(16,17)8-7-18-4/h5-6,9,14-15H,7-8,10H2,1-4H3
InChIKeyMKMSXPAKZPKZKP-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
CID 64644928
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759188
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
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
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine (CID 64645722) is 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine is CNC(CS(=O)(=O)CCOC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine?
The InChIKey is MKMSXPAKZPKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11-5-6-12(2)13(9-11)14(15-3)10-19(16,17)8-7-18-4/h5-6,9,14-15H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine?
1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine has a molecular weight of 285.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine is sourced from PubChem (CID 64645722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).