2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol

C15H22FNO3 — CID 45184475

IUPAC2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCC1(c2ccc(F)cc2)CCOC1
InChIInChI=1S/C15H22FNO3/c16-14-3-1-13(2-4-14)15(5-8-20-12-15)11-17-6-9-19-10-7-18/h1-4,17-18H,5-12H2
InChIKeyTVQVULNGFGTWTJ-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.08
Rot. Bonds8

About 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol

2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol (PubChem CID 45184475) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol
PubChem CID45184475
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCC1(c2ccc(F)cc2)CCOC1
InChIInChI=1S/C15H22FNO3/c16-14-3-1-13(2-4-14)15(5-8-20-12-15)11-17-6-9-19-10-7-18/h1-4,17-18H,5-12H2
InChIKeyTVQVULNGFGTWTJ-UHFFFAOYSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol (CID 45184475) is 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol is OCCOCCNCC1(c2ccc(F)cc2)CCOC1.
What is the InChIKey of 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol?
The InChIKey is TVQVULNGFGTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c16-14-3-1-13(2-4-14)15(5-8-20-12-15)11-17-6-9-19-10-7-18/h1-4,17-18H,5-12H2.
What are the key properties of 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol?
2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol has a molecular weight of 283.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 45184475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).