5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine

C15H18N2O2 — CID 123389568

IUPAC5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine
SMILESCNc1ccc(-c2ccc(OC)c(OC)c2)c(C)n1
InChIInChI=1S/C15H18N2O2/c1-10-12(6-8-15(16-2)17-10)11-5-7-13(18-3)14(9-11)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyWYJIMIUWWLBKMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.12
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine

5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine (PubChem CID 123389568) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine
PubChem CID123389568
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine
SMILESCNc1ccc(-c2ccc(OC)c(OC)c2)c(C)n1
InChIInChI=1S/C15H18N2O2/c1-10-12(6-8-15(16-2)17-10)11-5-7-13(18-3)14(9-11)19-4/h5-9H,1-4H3,(H,16,17)
InChIKeyWYJIMIUWWLBKMW-UHFFFAOYSA-N
XLogP3.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine (CID 123389568) is 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine is CNc1ccc(-c2ccc(OC)c(OC)c2)c(C)n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine?
The InChIKey is WYJIMIUWWLBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-12(6-8-15(16-2)17-10)11-5-7-13(18-3)14(9-11)19-4/h5-9H,1-4H3,(H,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine?
5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 123389568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).