3-methyl-5-(3-methylphenyl)pyridin-2-amine

C13H14N2 — CID 80505501

IUPAC3-methyl-5-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(-c2cnc(N)c(C)c2)c1
InChIInChI=1S/C13H14N2/c1-9-4-3-5-11(6-9)12-7-10(2)13(14)15-8-12/h3-8H,1-2H3,(H2,14,15)
InChIKeyVVKFYMCTBBXVNI-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.95
Rot. Bonds1

About 3-methyl-5-(3-methylphenyl)pyridin-2-amine

3-methyl-5-(3-methylphenyl)pyridin-2-amine (PubChem CID 80505501) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)pyridin-2-amine
PubChem CID80505501
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-methyl-5-(3-methylphenyl)pyridin-2-amine
SMILESCc1cccc(-c2cnc(N)c(C)c2)c1
InChIInChI=1S/C13H14N2/c1-9-4-3-5-11(6-9)12-7-10(2)13(14)15-8-12/h3-8H,1-2H3,(H2,14,15)
InChIKeyVVKFYMCTBBXVNI-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-(3-methylphenyl)pyridin-2-amine (CID 80505501) is 3-methyl-5-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)pyridin-2-amine is Cc1cccc(-c2cnc(N)c(C)c2)c1.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)pyridin-2-amine?
The InChIKey is VVKFYMCTBBXVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-4-3-5-11(6-9)12-7-10(2)13(14)15-8-12/h3-8H,1-2H3,(H2,14,15).
What are the key properties of 3-methyl-5-(3-methylphenyl)pyridin-2-amine?
3-methyl-5-(3-methylphenyl)pyridin-2-amine has a molecular weight of 198.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 80505501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).