2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol

C14H20FNO2 — CID 71917565

IUPAC2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol
SMILESOCCC1(NCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H20FNO2/c15-13-3-1-12(2-4-13)11-16-14(5-8-17)6-9-18-10-7-14/h1-4,16-17H,5-11H2
InChIKeyCFEVJQLSVZFXCW-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol

2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol (PubChem CID 71917565) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol
PubChem CID71917565
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol
SMILESOCCC1(NCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H20FNO2/c15-13-3-1-12(2-4-13)11-16-14(5-8-17)6-9-18-10-7-14/h1-4,16-17H,5-11H2
InChIKeyCFEVJQLSVZFXCW-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-fluorophenyl)methylamino]oxan-4-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-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol (CID 71917565) is 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol is OCCC1(NCc2ccc(F)cc2)CCOCC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol?
The InChIKey is CFEVJQLSVZFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-13-3-1-12(2-4-13)11-16-14(5-8-17)6-9-18-10-7-14/h1-4,16-17H,5-11H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol?
2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methylamino]oxan-4-yl]ethanol is sourced from PubChem (CID 71917565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).