3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine

C14H16N2O — CID 65318561

IUPAC3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
SMILESCOc1ccc(-c2cc(C)cnc2N)c(C)c1
InChIInChI=1S/C14H16N2O/c1-9-6-13(14(15)16-8-9)12-5-4-11(17-3)7-10(12)2/h4-8H,1-3H3,(H2,15,16)
InChIKeyAOPVJHHWDXWRHZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds2

About 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine

3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine (PubChem CID 65318561) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
PubChem CID65318561
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
SMILESCOc1ccc(-c2cc(C)cnc2N)c(C)c1
InChIInChI=1S/C14H16N2O/c1-9-6-13(14(15)16-8-9)12-5-4-11(17-3)7-10(12)2/h4-8H,1-3H3,(H2,15,16)
InChIKeyAOPVJHHWDXWRHZ-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine (CID 65318561) is 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine is COc1ccc(-c2cc(C)cnc2N)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine?
The InChIKey is AOPVJHHWDXWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-6-13(14(15)16-8-9)12-5-4-11(17-3)7-10(12)2/h4-8H,1-3H3,(H2,15,16).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine?
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine has a molecular weight of 228.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 65318561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).