2,6-dimethyl-4-phenyl-2,3-dihydropyridine

C13H15N — CID 167254517

IUPAC2,6-dimethyl-4-phenyl-2,3-dihydropyridine
SMILESCC1=NC(C)CC(c2ccccc2)=C1
InChIInChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyDEMGPBKMDHZSGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.32
Rot. Bonds1

About 2,6-dimethyl-4-phenyl-2,3-dihydropyridine

2,6-dimethyl-4-phenyl-2,3-dihydropyridine (PubChem CID 167254517) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-2,3-dihydropyridine
PubChem CID167254517
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2,6-dimethyl-4-phenyl-2,3-dihydropyridine
SMILESCC1=NC(C)CC(c2ccccc2)=C1
InChIInChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3
InChIKeyDEMGPBKMDHZSGT-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-2,3-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-phenyl-2,3-dihydropyridine (CID 167254517) is 2,6-dimethyl-4-phenyl-2,3-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-2,3-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-phenyl-2,3-dihydropyridine is CC1=NC(C)CC(c2ccccc2)=C1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-2,3-dihydropyridine?
The InChIKey is DEMGPBKMDHZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-2,3-dihydropyridine?
2,6-dimethyl-4-phenyl-2,3-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-2,3-dihydropyridine is sourced from PubChem (CID 167254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).