[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine

C11H16FNO3S — CID 112607984

IUPAC[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
SMILESCCS(=O)(=O)CCOc1c(F)cccc1CN
InChIInChI=1S/C11H16FNO3S/c1-2-17(14,15)7-6-16-11-9(8-13)4-3-5-10(11)12/h3-5H,2,6-8,13H2,1H3
InChIKeyPXNQTCTVQARTQI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds6

About [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine

[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine (PubChem CID 112607984) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
PubChem CID112607984
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
SMILESCCS(=O)(=O)CCOc1c(F)cccc1CN
InChIInChI=1S/C11H16FNO3S/c1-2-17(14,15)7-6-16-11-9(8-13)4-3-5-10(11)12/h3-5H,2,6-8,13H2,1H3
InChIKeyPXNQTCTVQARTQI-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728472
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615174
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
CID 106722438
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methylbenzene
CID 112613382
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine (CID 112607984) is [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine is CCS(=O)(=O)CCOc1c(F)cccc1CN.
What is the InChIKey of [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine?
The InChIKey is PXNQTCTVQARTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-2-17(14,15)7-6-16-11-9(8-13)4-3-5-10(11)12/h3-5H,2,6-8,13H2,1H3.
What are the key properties of [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine?
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 112607984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).