2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

C13H14FNOS — CID 55015274

IUPAC2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNCC(SCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(8-15)17-9-12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyVSVGFAXJPZYFIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 55015274) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID55015274
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNCC(SCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(8-15)17-9-12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyVSVGFAXJPZYFIG-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 55015274) is 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is NCC(SCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is VSVGFAXJPZYFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-11-5-3-10(4-6-11)13(8-15)17-9-12-2-1-7-16-12/h1-7,13H,8-9,15H2.
What are the key properties of 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 55015274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).