3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol

C12H16FNOS — CID 43232887

IUPAC3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
SMILESOCCCNC1CCSc2c(F)cccc21
InChIInChI=1S/C12H16FNOS/c13-10-4-1-3-9-11(14-6-2-7-15)5-8-16-12(9)10/h1,3-4,11,14-15H,2,5-8H2
InChIKeySLIYDJSQPQBGAL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds4

About 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol

3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol (PubChem CID 43232887) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
PubChem CID43232887
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
SMILESOCCCNC1CCSc2c(F)cccc21
InChIInChI=1S/C12H16FNOS/c13-10-4-1-3-9-11(14-6-2-7-15)5-8-16-12(9)10/h1,3-4,11,14-15H,2,5-8H2
InChIKeySLIYDJSQPQBGAL-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-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 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol (CID 43232887) is 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol is OCCCNC1CCSc2c(F)cccc21.
What is the InChIKey of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol?
The InChIKey is SLIYDJSQPQBGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-10-4-1-3-9-11(14-6-2-7-15)5-8-16-12(9)10/h1,3-4,11,14-15H,2,5-8H2.
What are the key properties of 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol?
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol is sourced from PubChem (CID 43232887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).