3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine

C20H19NO — CID 46044387

IUPAC3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
SMILESCc1cc(C)cc(-c2cncc(COc3ccccc3)c2)c1
InChIInChI=1S/C20H19NO/c1-15-8-16(2)10-18(9-15)19-11-17(12-21-13-19)14-22-20-6-4-3-5-7-20/h3-13H,14H2,1-2H3
InChIKeyHGAQXPXGGFJCDH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.94
Rot. Bonds4

About 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine

3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine (PubChem CID 46044387) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
PubChem CID46044387
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
SMILESCc1cc(C)cc(-c2cncc(COc3ccccc3)c2)c1
InChIInChI=1S/C20H19NO/c1-15-8-16(2)10-18(9-15)19-11-17(12-21-13-19)14-22-20-6-4-3-5-7-20/h3-13H,14H2,1-2H3
InChIKeyHGAQXPXGGFJCDH-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
CID 42851737
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
CID 141438033
3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
CID 46044362
3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
CID 42851667
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
1-ethynyl-3-methyl-5-(3-phenylmethoxyphenyl)benzene
CID 167311917
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
CID 42851644
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine?
The IUPAC name of 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine (CID 46044387) is 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine is Cc1cc(C)cc(-c2cncc(COc3ccccc3)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine?
The InChIKey is HGAQXPXGGFJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-8-16(2)10-18(9-15)19-11-17(12-21-13-19)14-22-20-6-4-3-5-7-20/h3-13H,14H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine?
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine is sourced from PubChem (CID 46044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).