2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine

C15H16FNO2S — CID 115795669

IUPAC2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H16FNO2S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15H,9,17H2,1H3
InChIKeyMLDGFEVPWZJYKI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.47
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine

2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 115795669) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID115795669
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H16FNO2S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15H,9,17H2,1H3
InChIKeyMLDGFEVPWZJYKI-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine (CID 115795669) is 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1cccc(C(N)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is MLDGFEVPWZJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-20(18,19)14-7-3-5-12(10-14)15(17)9-11-4-2-6-13(16)8-11/h2-8,10,15H,9,17H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine?
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 115795669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).