1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine

C14H16FNOS — CID 55020021

IUPAC1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H16FNOS/c1-10(16)14(11-4-2-5-12(15)8-11)18-9-13-6-3-7-17-13/h2-8,10,14H,9,16H2,1H3
InChIKeyJENUISUYUKRXDA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine

1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine (PubChem CID 55020021) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
PubChem CID55020021
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H16FNOS/c1-10(16)14(11-4-2-5-12(15)8-11)18-9-13-6-3-7-17-13/h2-8,10,14H,9,16H2,1H3
InChIKeyJENUISUYUKRXDA-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-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine (CID 55020021) is 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine is CC(N)C(SCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
The InChIKey is JENUISUYUKRXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10(16)14(11-4-2-5-12(15)8-11)18-9-13-6-3-7-17-13/h2-8,10,14H,9,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine?
1-(3-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-(3-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 55020021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).