1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine

C15H24FNO3S — CID 106728472

IUPAC1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
SMILESCCCS(=O)(=O)CCOc1c(F)cccc1CC(N)CC
InChIInChI=1S/C15H24FNO3S/c1-3-9-21(18,19)10-8-20-15-12(11-13(17)4-2)6-5-7-14(15)16/h5-7,13H,3-4,8-11,17H2,1-2H3
InChIKeyZKCWXNKOMXORSP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.31
Rot. Bonds9

About 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine

1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine (PubChem CID 106728472) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
PubChem CID106728472
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC Name1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
SMILESCCCS(=O)(=O)CCOc1c(F)cccc1CC(N)CC
InChIInChI=1S/C15H24FNO3S/c1-3-9-21(18,19)10-8-20-15-12(11-13(17)4-2)6-5-7-14(15)16/h5-7,13H,3-4,8-11,17H2,1-2H3
InChIKeyZKCWXNKOMXORSP-UHFFFAOYSA-N
XLogP2.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
3-[2-(2-aminobutyl)-6-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 115958830
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958849

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine (CID 106728472) is 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine is CCCS(=O)(=O)CCOc1c(F)cccc1CC(N)CC.
What is the InChIKey of 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The InChIKey is ZKCWXNKOMXORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-3-9-21(18,19)10-8-20-15-12(11-13(17)4-2)6-5-7-14(15)16/h5-7,13H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine has a molecular weight of 317.43 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 106728472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).