4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol

C10H14FNOS — CID 117306953

IUPAC4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C(C)CN)c1F
InChIInChI=1S/C10H14FNOS/c1-6(5-12)7-3-4-8(13)10(14-2)9(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyOVIWSNHLBBJSIR-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.32
Rot. Bonds3

About 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol

4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol (PubChem CID 117306953) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol
PubChem CID117306953
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C(C)CN)c1F
InChIInChI=1S/C10H14FNOS/c1-6(5-12)7-3-4-8(13)10(14-2)9(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyOVIWSNHLBBJSIR-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol (CID 117306953) is 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(C(C)CN)c1F.
What is the InChIKey of 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol?
The InChIKey is OVIWSNHLBBJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-6(5-12)7-3-4-8(13)10(14-2)9(7)11/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol?
4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol has a molecular weight of 215.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).