1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C11H16FNOS — CID 43166337

IUPAC1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1ccccc1F
InChIInChI=1S/C11H16FNOS/c1-2-13-7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyBCOGKNGDACRNSS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.89
Rot. Bonds6

About 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 43166337) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID43166337
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1ccccc1F
InChIInChI=1S/C11H16FNOS/c1-2-13-7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyBCOGKNGDACRNSS-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 43166337) is 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol is CCNCC(O)CSc1ccccc1F.
What is the InChIKey of 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is BCOGKNGDACRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-13-7-9(14)8-15-11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 43166337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).