2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine

C9H12FNO3S — CID 70979658

IUPAC2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
SMILESCS(=O)(=O)c1cc(F)cc(OCCN)c1
InChIInChI=1S/C9H12FNO3S/c1-15(12,13)9-5-7(10)4-8(6-9)14-3-2-11/h4-6H,2-3,11H2,1H3
InChIKeyLGZJYQWKOWTUNV-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.57
Rot. Bonds4

About 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine

2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine (PubChem CID 70979658) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
PubChem CID70979658
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
SMILESCS(=O)(=O)c1cc(F)cc(OCCN)c1
InChIInChI=1S/C9H12FNO3S/c1-15(12,13)9-5-7(10)4-8(6-9)14-3-2-11/h4-6H,2-3,11H2,1H3
InChIKeyLGZJYQWKOWTUNV-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
tert-butyl N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]carbamate
CID 70980523
(Z)-2-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]but-2-enedioic acid
CID 175463139
(3-fluoro-5-methylsulfonylphenyl) trifluoromethanesulfonate
CID 174416516
2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide
CID 155340732
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
2,3-dihydroxybutanedioic acid;N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 175463137
2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine
CID 156647657
2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol
CID 84696588
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117396628
3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
CID 165499047
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine?
The IUPAC name of 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine (CID 70979658) is 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine.
What is the SMILES notation for 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine?
The canonical SMILES for 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine is CS(=O)(=O)c1cc(F)cc(OCCN)c1.
What is the InChIKey of 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine?
The InChIKey is LGZJYQWKOWTUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-15(12,13)9-5-7(10)4-8(6-9)14-3-2-11/h4-6H,2-3,11H2,1H3.
What are the key properties of 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine?
2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine has a molecular weight of 233.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine is sourced from PubChem (CID 70979658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).