2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine

C15H16FNOS — CID 19361944

IUPAC2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine
SMILESCS(=O)c1ccc(C(CN)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNOS/c1-19(18)14-7-5-11(6-8-14)15(10-17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyZEEJFQSBEKPBAX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine

2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine (PubChem CID 19361944) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine
PubChem CID19361944
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine
SMILESCS(=O)c1ccc(C(CN)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNOS/c1-19(18)14-7-5-11(6-8-14)15(10-17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3
InChIKeyZEEJFQSBEKPBAX-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine (CID 19361944) is 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine is CS(=O)c1ccc(C(CN)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine?
The InChIKey is ZEEJFQSBEKPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-19(18)14-7-5-11(6-8-14)15(10-17)12-3-2-4-13(16)9-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine?
2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine has a molecular weight of 277.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine is sourced from PubChem (CID 19361944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).