N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine

C13H20FNO2S — CID 106878162

IUPACN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FNO2S/c1-5-15-12(8-18(4,16)17)13-9(2)6-11(14)7-10(13)3/h6-7,12,15H,5,8H2,1-4H3
InChIKeyABHIEAUVWCMJRS-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.14
Rot. Bonds5

About N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine

N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine (PubChem CID 106878162) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
PubChem CID106878162
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FNO2S/c1-5-15-12(8-18(4,16)17)13-9(2)6-11(14)7-10(13)3/h6-7,12,15H,5,8H2,1-4H3
InChIKeyABHIEAUVWCMJRS-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 79724994
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62786079
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 106878353
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
CID 106647936
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine (CID 106878162) is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine?
The InChIKey is ABHIEAUVWCMJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-5-15-12(8-18(4,16)17)13-9(2)6-11(14)7-10(13)3/h6-7,12,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine?
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine has a molecular weight of 273.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 106878162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).