2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol

C16H22FNO2S — CID 15408581

IUPAC2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol
SMILESCCN(CC)CCOCC(O)c1ccc2sccc2c1F
InChIInChI=1S/C16H22FNO2S/c1-3-18(4-2)8-9-20-11-14(19)12-5-6-15-13(16(12)17)7-10-21-15/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3
InChIKeyYINOMNQFBIIIJF-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.43
Rot. Bonds8

About 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol

2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol (PubChem CID 15408581) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol
PubChem CID15408581
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol
SMILESCCN(CC)CCOCC(O)c1ccc2sccc2c1F
InChIInChI=1S/C16H22FNO2S/c1-3-18(4-2)8-9-20-11-14(19)12-5-6-15-13(16(12)17)7-10-21-15/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3
InChIKeyYINOMNQFBIIIJF-UHFFFAOYSA-N
XLogP3.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol 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 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol (CID 15408581) is 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol is CCN(CC)CCOCC(O)c1ccc2sccc2c1F.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol?
The InChIKey is YINOMNQFBIIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-3-18(4-2)8-9-20-11-14(19)12-5-6-15-13(16(12)17)7-10-21-15/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol?
2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol has a molecular weight of 311.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-1-(4-fluoro-1-benzothiophen-5-yl)ethanol is sourced from PubChem (CID 15408581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).