[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine

C12H18FNO3S — CID 107694959

IUPAC[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine
SMILESCCCS(=O)(=O)CCOc1ccc(F)cc1CN
InChIInChI=1S/C12H18FNO3S/c1-2-6-18(15,16)7-5-17-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeyJKQWZSGNSDMUQI-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.49
Rot. Bonds7

About [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine

[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine (PubChem CID 107694959) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine
PubChem CID107694959
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine
SMILESCCCS(=O)(=O)CCOc1ccc(F)cc1CN
InChIInChI=1S/C12H18FNO3S/c1-2-6-18(15,16)7-5-17-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeyJKQWZSGNSDMUQI-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
2-[4-methoxy-3-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728330
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728351
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
2-(2-propylsulfonylethoxy)phenol
CID 106726690
2-bromo-3-(2-propylsulfonylethoxy)aniline
CID 106721733
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
1-(2-propylsulfonylethoxy)naphthalene
CID 106732634
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine (CID 107694959) is [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine is CCCS(=O)(=O)CCOc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine?
The InChIKey is JKQWZSGNSDMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-2-6-18(15,16)7-5-17-12-4-3-11(13)8-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3.
What are the key properties of [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine?
[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine is sourced from PubChem (CID 107694959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).