4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine

C16H19N — CID 59538629

IUPAC4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
SMILESCc1cnc(-c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C16H19N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)10-17-16/h5-11H,1-4H3
InChIKeyRHXFWIJFJAQICX-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.49
Rot. Bonds2

About 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine

4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine (PubChem CID 59538629) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
PubChem CID59538629
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
SMILESCc1cnc(-c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C16H19N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)10-17-16/h5-11H,1-4H3
InChIKeyRHXFWIJFJAQICX-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine (CID 59538629) is 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine is Cc1cnc(-c2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine?
The InChIKey is RHXFWIJFJAQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)10-17-16/h5-11H,1-4H3.
What are the key properties of 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine?
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine has a molecular weight of 225.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 59538629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).