2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol

C10H14FNOS — CID 43617575

IUPAC2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol
SMILESCC(N)c1c(F)cccc1SCCO
InChIInChI=1S/C10H14FNOS/c1-7(12)10-8(11)3-2-4-9(10)14-6-5-13/h2-4,7,13H,5-6,12H2,1H3
InChIKeyCHESOUVWROEWSY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.93
Rot. Bonds4

About 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol

2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol (PubChem CID 43617575) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol
PubChem CID43617575
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol
SMILESCC(N)c1c(F)cccc1SCCO
InChIInChI=1S/C10H14FNOS/c1-7(12)10-8(11)3-2-4-9(10)14-6-5-13/h2-4,7,13H,5-6,12H2,1H3
InChIKeyCHESOUVWROEWSY-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol?
The IUPAC name of 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol (CID 43617575) is 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol?
The canonical SMILES for 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol is CC(N)c1c(F)cccc1SCCO.
What is the InChIKey of 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol?
The InChIKey is CHESOUVWROEWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7(12)10-8(11)3-2-4-9(10)14-6-5-13/h2-4,7,13H,5-6,12H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol?
2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol has a molecular weight of 215.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanylethanol is sourced from PubChem (CID 43617575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).