[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine

C14H14FNS — CID 114070263

IUPAC[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2c(F)cccc2CN)cc1
InChIInChI=1S/C14H14FNS/c1-10-5-7-12(8-6-10)17-14-11(9-16)3-2-4-13(14)15/h2-8H,9,16H2,1H3
InChIKeyWWHOQFFOFOVUKZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.74
Rot. Bonds3

About [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine

[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 114070263) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine
PubChem CID114070263
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2c(F)cccc2CN)cc1
InChIInChI=1S/C14H14FNS/c1-10-5-7-12(8-6-10)17-14-11(9-16)3-2-4-13(14)15/h2-8H,9,16H2,1H3
InChIKeyWWHOQFFOFOVUKZ-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine (CID 114070263) is [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine is Cc1ccc(Sc2c(F)cccc2CN)cc1.
What is the InChIKey of [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is WWHOQFFOFOVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-5-7-12(8-6-10)17-14-11(9-16)3-2-4-13(14)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine?
[3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 114070263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).