1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine

C14H14FNS — CID 43189309

IUPAC1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-10H,16H2,1H3
InChIKeyJAXYCJWKVULYKY-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.00
Rot. Bonds3

About 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine

1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 43189309) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine
PubChem CID43189309
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-10H,16H2,1H3
InChIKeyJAXYCJWKVULYKY-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine (CID 43189309) is 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine is CC(N)c1ccc(Sc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is JAXYCJWKVULYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-10H,16H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 43189309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).