2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

C20H19NO — CID 11973809

IUPAC2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2ccccn2)cc1
InChIInChI=1S/C20H19NO/c1-2-8-17(9-3-1)13-14-18-10-4-5-12-20(18)22-16-19-11-6-7-15-21-19/h1-12,15H,13-14,16H2
InChIKeyXVQTWFFAIBVICX-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.45
Rot. Bonds6

About 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (PubChem CID 11973809) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
PubChem CID11973809
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2ccccn2)cc1
InChIInChI=1S/C20H19NO/c1-2-8-17(9-3-1)13-14-18-10-4-5-12-20(18)22-16-19-11-6-7-15-21-19/h1-12,15H,13-14,16H2
InChIKeyXVQTWFFAIBVICX-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (CID 11973809) is 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is c1ccc(CCc2ccccc2OCc2ccccn2)cc1.
What is the InChIKey of 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The InChIKey is XVQTWFFAIBVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-8-17(9-3-1)13-14-18-10-4-5-12-20(18)22-16-19-11-6-7-15-21-19/h1-12,15H,13-14,16H2.
What are the key properties of 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 11973809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).