4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine

C13H15N — CID 135303490

IUPAC4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine
SMILESCC1=CC(c2ccccc2C)NC=C1
InChIInChI=1S/C13H15N/c1-10-7-8-14-13(9-10)12-6-4-3-5-11(12)2/h3-9,13-14H,1-2H3
InChIKeyXIBYKKLWSZGURY-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.10
Rot. Bonds1

About 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine

4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine (PubChem CID 135303490) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine
PubChem CID135303490
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine
SMILESCC1=CC(c2ccccc2C)NC=C1
InChIInChI=1S/C13H15N/c1-10-7-8-14-13(9-10)12-6-4-3-5-11(12)2/h3-9,13-14H,1-2H3
InChIKeyXIBYKKLWSZGURY-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine (CID 135303490) is 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine is CC1=CC(c2ccccc2C)NC=C1.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine?
The InChIKey is XIBYKKLWSZGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-7-8-14-13(9-10)12-6-4-3-5-11(12)2/h3-9,13-14H,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine?
4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine is sourced from PubChem (CID 135303490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).