3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine

C21H21NO2 — CID 11973926

IUPAC3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(CCc2ccccc2OCc2cccnc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-9-4-6-17(14-20)11-12-19-8-2-3-10-21(19)24-16-18-7-5-13-22-15-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyREDYWFZNRVYCRB-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.45
Rot. Bonds7

About 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine

3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine (PubChem CID 11973926) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
PubChem CID11973926
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(CCc2ccccc2OCc2cccnc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-9-4-6-17(14-20)11-12-19-8-2-3-10-21(19)24-16-18-7-5-13-22-15-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyREDYWFZNRVYCRB-UHFFFAOYSA-N
XLogP4.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl methanesulfonate
CID 87800970
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
3-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706976
[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite
CID 139514897
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine (CID 11973926) is 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine is COc1cccc(CCc2ccccc2OCc2cccnc2)c1.
What is the InChIKey of 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The InChIKey is REDYWFZNRVYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-20-9-4-6-17(14-20)11-12-19-8-2-3-10-21(19)24-16-18-7-5-13-22-15-18/h2-10,13-15H,11-12,16H2,1H3.
What are the key properties of 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine has a molecular weight of 319.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 11973926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).