2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride

C18H25ClFNO2S — CID 67560827

IUPAC2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride
SMILESCCN(CC)CCOCC(O)c1cccc(F)c1-c1cccs1.Cl
InChIInChI=1S/C18H24FNO2S.ClH/c1-3-20(4-2)10-11-22-13-16(21)14-7-5-8-15(19)18(14)17-9-6-12-23-17;/h5-9,12,16,21H,3-4,10-11,13H2,1-2H3;1H
InChIKeyNZQLMTVMHSMXCU-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.37
Rot. Bonds9

About 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride

2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride (PubChem CID 67560827) has the molecular formula C18H25ClFNO2S and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride
PubChem CID67560827
Molecular FormulaC18H25ClFNO2S
Molecular Weight373.92 g/mol
Exact Mass373.13
IUPAC Name2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride
SMILESCCN(CC)CCOCC(O)c1cccc(F)c1-c1cccs1.Cl
InChIInChI=1S/C18H24FNO2S.ClH/c1-3-20(4-2)10-11-22-13-16(21)14-7-5-8-15(19)18(14)17-9-6-12-23-17;/h5-9,12,16,21H,3-4,10-11,13H2,1-2H3;1H
InChIKeyNZQLMTVMHSMXCU-UHFFFAOYSA-N
XLogP4.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride (CID 67560827) is 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride is CCN(CC)CCOCC(O)c1cccc(F)c1-c1cccs1.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride?
The InChIKey is NZQLMTVMHSMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2S.ClH/c1-3-20(4-2)10-11-22-13-16(21)14-7-5-8-15(19)18(14)17-9-6-12-23-17;/h5-9,12,16,21H,3-4,10-11,13H2,1-2H3;1H.
What are the key properties of 2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride?
2-[2-(diethylamino)ethoxy]-1-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.37, 9 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-(3-fluoro-2-thiophen-2-ylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 67560827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).