3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol

C10H14FNOS — CID 117306957

IUPAC3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol
SMILESCNCCc1ccc(O)c(SC)c1F
InChIInChI=1S/C10H14FNOS/c1-12-6-5-7-3-4-8(13)10(14-2)9(7)11/h3-4,12-13H,5-6H2,1-2H3
InChIKeyGODQVRAMKHKEQH-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.02
Rot. Bonds4

About 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol

3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol (PubChem CID 117306957) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol.

Molecular Properties

Compound Name3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol
PubChem CID117306957
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol
SMILESCNCCc1ccc(O)c(SC)c1F
InChIInChI=1S/C10H14FNOS/c1-12-6-5-7-3-4-8(13)10(14-2)9(7)11/h3-4,12-13H,5-6H2,1-2H3
InChIKeyGODQVRAMKHKEQH-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol?
The IUPAC name of 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol (CID 117306957) is 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol.
What is the SMILES notation for 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol?
The canonical SMILES for 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol is CNCCc1ccc(O)c(SC)c1F.
What is the InChIKey of 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol?
The InChIKey is GODQVRAMKHKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-12-6-5-7-3-4-8(13)10(14-2)9(7)11/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol?
3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol has a molecular weight of 215.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol is sourced from PubChem (CID 117306957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).