1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine

C13H14FNOS — CID 63809558

IUPAC1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C13H14FNOS/c1-15-8-10-7-11(14)4-5-13(10)17-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3
InChIKeyBIEUHVBZLZGNFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.43
Rot. Bonds5

About 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 63809558) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID63809558
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C13H14FNOS/c1-15-8-10-7-11(14)4-5-13(10)17-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3
InChIKeyBIEUHVBZLZGNFQ-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine (CID 63809558) is 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1SCc1ccco1.
What is the InChIKey of 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is BIEUHVBZLZGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-15-8-10-7-11(14)4-5-13(10)17-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63809558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).