4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol

C10H14FNOS — CID 117306948

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

About 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol

4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol (PubChem CID 117306948) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol
PubChem CID117306948
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(CC(C)N)c1F
InChIInChI=1S/C10H14FNOS/c1-6(12)5-7-3-4-8(13)10(14-2)9(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyALBNWDJQTTYWSO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol (CID 117306948) is 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(CC(C)N)c1F.
What is the InChIKey of 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol?
The InChIKey is ALBNWDJQTTYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-6(12)5-7-3-4-8(13)10(14-2)9(7)11/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol?
4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol has a molecular weight of 215.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117306948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).