2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol

C15H18N2O — CID 122418730

IUPAC2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)Cc2ccccc2)n1
InChIInChI=1S/C15H18N2O/c1-12-8-9-15(18)14(16-12)11-17(2)10-13-6-4-3-5-7-13/h3-9,18H,10-11H2,1-2H3
InChIKeyWIQLIFYXGCDCLS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.73
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol

2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 122418730) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID122418730
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)Cc2ccccc2)n1
InChIInChI=1S/C15H18N2O/c1-12-8-9-15(18)14(16-12)11-17(2)10-13-6-4-3-5-7-13/h3-9,18H,10-11H2,1-2H3
InChIKeyWIQLIFYXGCDCLS-UHFFFAOYSA-N
XLogP2.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol (CID 122418730) is 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is WIQLIFYXGCDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-8-9-15(18)14(16-12)11-17(2)10-13-6-4-3-5-7-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 122418730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).