2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine

C17H19FN2O — CID 67256090

IUPAC2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine
SMILESCC(Oc1cccc(F)c1)c1cccc(N2CCCC2)n1
InChIInChI=1S/C17H19FN2O/c1-13(21-15-7-4-6-14(18)12-15)16-8-5-9-17(19-16)20-10-2-3-11-20/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyCAVYNXBWCGYBPU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.96
Rot. Bonds4

About 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine

2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine (PubChem CID 67256090) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine
PubChem CID67256090
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine
SMILESCC(Oc1cccc(F)c1)c1cccc(N2CCCC2)n1
InChIInChI=1S/C17H19FN2O/c1-13(21-15-7-4-6-14(18)12-15)16-8-5-9-17(19-16)20-10-2-3-11-20/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyCAVYNXBWCGYBPU-UHFFFAOYSA-N
XLogP3.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine (CID 67256090) is 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine is CC(Oc1cccc(F)c1)c1cccc(N2CCCC2)n1.
What is the InChIKey of 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine?
The InChIKey is CAVYNXBWCGYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(21-15-7-4-6-14(18)12-15)16-8-5-9-17(19-16)20-10-2-3-11-20/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine?
2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine has a molecular weight of 286.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenoxy)ethyl]-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 67256090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).