[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine

C14H14FNO3S — CID 79517826

IUPAC[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2cccc(F)c2CN)cc1
InChIInChI=1S/C14H14FNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyUDZLXHDEVOUWGO-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.48
Rot. Bonds4

About [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine

[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine (PubChem CID 79517826) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
PubChem CID79517826
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2cccc(F)c2CN)cc1
InChIInChI=1S/C14H14FNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyUDZLXHDEVOUWGO-UHFFFAOYSA-N
XLogP2.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
CID 43807134
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine (CID 79517826) is [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine is CS(=O)(=O)c1ccc(Oc2cccc(F)c2CN)cc1.
What is the InChIKey of [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is UDZLXHDEVOUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 295.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 79517826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).