3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol

C13H14FNOS — CID 65185678

IUPAC3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)c1ccsc1
InChIInChI=1S/C13H14FNOS/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2
InChIKeyDGYLWSPESMRSAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol

3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 65185678) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID65185678
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)c1ccsc1
InChIInChI=1S/C13H14FNOS/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2
InChIKeyDGYLWSPESMRSAD-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-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-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol (CID 65185678) is 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol is NCC(c1ccc(F)cc1)C(O)c1ccsc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is DGYLWSPESMRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2.
What are the key properties of 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol?
3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65185678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).