4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

C26H24N2O — CID 135987670

IUPAC4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C26H24N2O/c1-19-15-22(13-14-25(19)29)24-16-23(21-11-7-4-8-12-21)17-26(27-24)28(2)18-20-9-5-3-6-10-20/h3-17,29H,18H2,1-2H3
InChIKeyMOJUIGSJBXXTNA-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.07
Rot. Bonds5

About 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (PubChem CID 135987670) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
PubChem CID135987670
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C26H24N2O/c1-19-15-22(13-14-25(19)29)24-16-23(21-11-7-4-8-12-21)17-26(27-24)28(2)18-20-9-5-3-6-10-20/h3-17,29H,18H2,1-2H3
InChIKeyMOJUIGSJBXXTNA-UHFFFAOYSA-N
XLogP6.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The IUPAC name of 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (CID 135987670) is 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.
What is the SMILES notation for 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The canonical SMILES for 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The InChIKey is MOJUIGSJBXXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-19-15-22(13-14-25(19)29)24-16-23(21-11-7-4-8-12-21)17-26(27-24)28(2)18-20-9-5-3-6-10-20/h3-17,29H,18H2,1-2H3.
What are the key properties of 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol has a molecular weight of 380.49 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[benzyl(methyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is sourced from PubChem (CID 135987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).