6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine

C13H15N — CID 57022563

IUPAC6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine
SMILESCC1=C(c2ccccc2C)CCC=N1
InChIInChI=1S/C13H15N/c1-10-6-3-4-7-12(10)13-8-5-9-14-11(13)2/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyMYNZJGSGIMJBRA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.59
Rot. Bonds1

About 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine

6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine (PubChem CID 57022563) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine
PubChem CID57022563
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine
SMILESCC1=C(c2ccccc2C)CCC=N1
InChIInChI=1S/C13H15N/c1-10-6-3-4-7-12(10)13-8-5-9-14-11(13)2/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyMYNZJGSGIMJBRA-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine (CID 57022563) is 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine is CC1=C(c2ccccc2C)CCC=N1.
What is the InChIKey of 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine?
The InChIKey is MYNZJGSGIMJBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-6-3-4-7-12(10)13-8-5-9-14-11(13)2/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine?
6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine has a molecular weight of 185.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine is sourced from PubChem (CID 57022563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).