1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine

C14H16FNOS — CID 55019236

IUPAC1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCc1ccco1)c1ccccc1F
InChIInChI=1S/C14H16FNOS/c1-10(16)14(12-6-2-3-7-13(12)15)18-9-11-5-4-8-17-11/h2-8,10,14H,9,16H2,1H3
InChIKeyXTQOHVVUAMYPGY-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine

1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine (PubChem CID 55019236) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
PubChem CID55019236
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCc1ccco1)c1ccccc1F
InChIInChI=1S/C14H16FNOS/c1-10(16)14(12-6-2-3-7-13(12)15)18-9-11-5-4-8-17-11/h2-8,10,14H,9,16H2,1H3
InChIKeyXTQOHVVUAMYPGY-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine (CID 55019236) is 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine is CC(N)C(SCc1ccco1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The InChIKey is XTQOHVVUAMYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10(16)14(12-6-2-3-7-13(12)15)18-9-11-5-4-8-17-11/h2-8,10,14H,9,16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 55019236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).