1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine

C14H23NO2S — CID 64647574

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
SMILESCCNC(CS(=O)(=O)CC)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-15-14(10-18(16,17)6-2)13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyAALGJXXSPWUIRY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.39
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine (PubChem CID 64647574) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
PubChem CID64647574
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
SMILESCCNC(CS(=O)(=O)CC)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-15-14(10-18(16,17)6-2)13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyAALGJXXSPWUIRY-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

2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
1-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyridin-2-one
CID 62962661
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine (CID 64647574) is 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine is CCNC(CS(=O)(=O)CC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine?
The InChIKey is AALGJXXSPWUIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-15-14(10-18(16,17)6-2)13-8-7-11(3)9-12(13)4/h7-9,14-15H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine 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-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine is sourced from PubChem (CID 64647574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).