(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine

C9H14N2O2 — CID 84658523

IUPAC(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine
SMILESCOc1cc(C)c(CN)c(OC)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,5,10H2,1-3H3
InChIKeyOOCZPJQEHMDYOV-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds3

About (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine

(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine (PubChem CID 84658523) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine
PubChem CID84658523
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine
SMILESCOc1cc(C)c(CN)c(OC)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,5,10H2,1-3H3
InChIKeyOOCZPJQEHMDYOV-UHFFFAOYSA-N
XLogP0.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine (CID 84658523) is (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine is COc1cc(C)c(CN)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine?
The InChIKey is OOCZPJQEHMDYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,5,10H2,1-3H3.
What are the key properties of (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine?
(2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine has a molecular weight of 182.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 84658523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).