1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine

C13H21NO2S — CID 55110466

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO2S/c1-5-14-13(9-17(4,15)16)12-8-10(2)6-7-11(12)3/h6-8,13-14H,5,9H2,1-4H3
InChIKeyUWMXJJFUAAUVHV-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.00
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine (PubChem CID 55110466) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
PubChem CID55110466
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO2S/c1-5-14-13(9-17(4,15)16)12-8-10(2)6-7-11(12)3/h6-8,13-14H,5,9H2,1-4H3
InChIKeyUWMXJJFUAAUVHV-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 79724994
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine (CID 55110466) is 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine?
The InChIKey is UWMXJJFUAAUVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-14-13(9-17(4,15)16)12-8-10(2)6-7-11(12)3/h6-8,13-14H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.00, 5 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-ethyl-2-methylsulfonylethanamine is sourced from PubChem (CID 55110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).