1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol

C14H18FNOS — CID 141110771

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol
SMILESCCCNCCC(O)c1csc2ccc(F)cc12
InChIInChI=1S/C14H18FNOS/c1-2-6-16-7-5-13(17)12-9-18-14-4-3-10(15)8-11(12)14/h3-4,8-9,13,16-17H,2,5-7H2,1H3
InChIKeyLOMDJRXUGGUCOP-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.46
Rot. Bonds6

About 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol

1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol (PubChem CID 141110771) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol
PubChem CID141110771
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol
SMILESCCCNCCC(O)c1csc2ccc(F)cc12
InChIInChI=1S/C14H18FNOS/c1-2-6-16-7-5-13(17)12-9-18-14-4-3-10(15)8-11(12)14/h3-4,8-9,13,16-17H,2,5-7H2,1H3
InChIKeyLOMDJRXUGGUCOP-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)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 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol (CID 141110771) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol is CCCNCCC(O)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol?
The InChIKey is LOMDJRXUGGUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-2-6-16-7-5-13(17)12-9-18-14-4-3-10(15)8-11(12)14/h3-4,8-9,13,16-17H,2,5-7H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol?
1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 141110771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).