1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine

C11H16FNO2S — CID 105016325

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8-4-9(6-10(12)5-8)11(13-2)7-16(3,14)15/h4-6,11,13H,7H2,1-3H3
InChIKeyXARDXRSXQGZRSS-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.44
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine

1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 105016325) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID105016325
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8-4-9(6-10(12)5-8)11(13-2)7-16(3,14)15/h4-6,11,13H,7H2,1-3H3
InChIKeyXARDXRSXQGZRSS-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfonyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62786079
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 103547010
1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 105016528
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
1-(3-bromo-5-methylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820343

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine (CID 105016325) is 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is XARDXRSXQGZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8-4-9(6-10(12)5-8)11(13-2)7-16(3,14)15/h4-6,11,13H,7H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine?
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 245.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 105016325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).