2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine

C13H14FNOS — CID 63818290

IUPAC2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C13H14FNOS/c14-11-3-4-13(10(8-11)5-6-15)17-9-12-2-1-7-16-12/h1-4,7-8H,5-6,9,15H2
InChIKeyYXTSARVZNVDTNX-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.21
Rot. Bonds5

About 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine

2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine (PubChem CID 63818290) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine
PubChem CID63818290
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C13H14FNOS/c14-11-3-4-13(10(8-11)5-6-15)17-9-12-2-1-7-16-12/h1-4,7-8H,5-6,9,15H2
InChIKeyYXTSARVZNVDTNX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine (CID 63818290) is 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine is NCCc1cc(F)ccc1SCc1ccco1.
What is the InChIKey of 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine?
The InChIKey is YXTSARVZNVDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-11-3-4-13(10(8-11)5-6-15)17-9-12-2-1-7-16-12/h1-4,7-8H,5-6,9,15H2.
What are the key properties of 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine?
2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 63818290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).