2-(3-fluoro-4-methylsulfonylphenyl)ethanamine

C9H12FNO2S — CID 84785221

IUPAC2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(CCN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-14(12,13)9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyNMLDILKWSRVKSA-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds3

About 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine

2-(3-fluoro-4-methylsulfonylphenyl)ethanamine (PubChem CID 84785221) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
PubChem CID84785221
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(CCN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-14(12,13)9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyNMLDILKWSRVKSA-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-methylsulfonylphenyl)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

4-(2-bromoethyl)-2-fluoro-1-methylsulfonylbenzene
CID 174530184
3-(3-fluoro-4-methylsulfonylphenyl)propanoic acid
CID 84803162
2-(3-fluoro-4-methylsulfonylphenyl)acetonitrile
CID 84782700
(3-fluoro-4-methylsulfonylphenyl)methyl acetate
CID 151545058
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341937
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 83236530
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
5-(4-aminobutyl)-2-methylsulfonylphenol
CID 117360580

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine (CID 84785221) is 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1ccc(CCN)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The InChIKey is NMLDILKWSRVKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-14(12,13)9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine has a molecular weight of 217.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 84785221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).