6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol

C9H12FNO3S — CID 117337806

IUPAC6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CCN)c(O)c1F
InChIInChI=1S/C9H12FNO3S/c1-15(13,14)7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3
InChIKeyAYGYGYDGUXAYTC-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.44
Rot. Bonds3

About 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol

6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol (PubChem CID 117337806) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
PubChem CID117337806
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CCN)c(O)c1F
InChIInChI=1S/C9H12FNO3S/c1-15(13,14)7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3
InChIKeyAYGYGYDGUXAYTC-UHFFFAOYSA-N
XLogP0.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117409765
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
CID 117404537
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117468898
2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662
2-fluoro-3-methylsulfonyl-6-(piperazin-1-ylmethyl)phenol
CID 117465783
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol?
The IUPAC name of 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol (CID 117337806) is 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol.
What is the SMILES notation for 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol?
The canonical SMILES for 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol is CS(=O)(=O)c1ccc(CCN)c(O)c1F.
What is the InChIKey of 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol?
The InChIKey is AYGYGYDGUXAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-15(13,14)7-3-2-6(4-5-11)9(12)8(7)10/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol?
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol has a molecular weight of 233.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol is sourced from PubChem (CID 117337806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).