2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol

C24H28N2O2 — CID 21137982

IUPAC2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CN(Cc2ccccn2)Cc2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H28N2O2/c1-16-9-18(3)23(27)20(11-16)13-26(15-22-7-5-6-8-25-22)14-21-12-17(2)10-19(4)24(21)28/h5-12,27-28H,13-15H2,1-4H3
InChIKeyLVNZCLUFJCADDI-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.93
Rot. Bonds6

About 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol

2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol (PubChem CID 21137982) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
PubChem CID21137982
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CN(Cc2ccccn2)Cc2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H28N2O2/c1-16-9-18(3)23(27)20(11-16)13-26(15-22-7-5-6-8-25-22)14-21-12-17(2)10-19(4)24(21)28/h5-12,27-28H,13-15H2,1-4H3
InChIKeyLVNZCLUFJCADDI-UHFFFAOYSA-N
XLogP4.93
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol (CID 21137982) is 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(CN(Cc2ccccn2)Cc2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The InChIKey is LVNZCLUFJCADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-9-18(3)23(27)20(11-16)13-26(15-22-7-5-6-8-25-22)14-21-12-17(2)10-19(4)24(21)28/h5-12,27-28H,13-15H2,1-4H3.
What are the key properties of 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol has a molecular weight of 376.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol is sourced from PubChem (CID 21137982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).