4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine

C16H19N — CID 577294

IUPAC4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine
SMILESCc1ccc(Cc2cc(C)ncc2C)c(C)c1
InChIInChI=1S/C16H19N/c1-11-5-6-15(12(2)7-11)9-16-8-14(4)17-10-13(16)3/h5-8,10H,9H2,1-4H3
InChIKeyUXLQVMDEZHZLBO-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.91
Rot. Bonds2

About 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine

4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine (PubChem CID 577294) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine
PubChem CID577294
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine
SMILESCc1ccc(Cc2cc(C)ncc2C)c(C)c1
InChIInChI=1S/C16H19N/c1-11-5-6-15(12(2)7-11)9-16-8-14(4)17-10-13(16)3/h5-8,10H,9H2,1-4H3
InChIKeyUXLQVMDEZHZLBO-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine?
The IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine (CID 577294) is 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine is Cc1ccc(Cc2cc(C)ncc2C)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine?
The InChIKey is UXLQVMDEZHZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-5-6-15(12(2)7-11)9-16-8-14(4)17-10-13(16)3/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine?
4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine has a molecular weight of 225.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine is sourced from PubChem (CID 577294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).