4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol

C22H24N2O — CID 135987671

IUPAC4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCC(C)CN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C22H24N2O/c1-16(2)15-24(3)22-14-19(17-7-5-4-6-8-17)13-21(23-22)18-9-11-20(25)12-10-18/h4-14,16,25H,15H2,1-3H3
InChIKeyQTFWAEIJPISIIW-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.21
Rot. Bonds5

About 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol

4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol (PubChem CID 135987671) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
PubChem CID135987671
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCC(C)CN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C22H24N2O/c1-16(2)15-24(3)22-14-19(17-7-5-4-6-8-17)13-21(23-22)18-9-11-20(25)12-10-18/h4-14,16,25H,15H2,1-3H3
InChIKeyQTFWAEIJPISIIW-UHFFFAOYSA-N
XLogP5.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol (CID 135987671) is 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol is CC(C)CN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is QTFWAEIJPISIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16(2)15-24(3)22-14-19(17-7-5-4-6-8-17)13-21(23-22)18-9-11-20(25)12-10-18/h4-14,16,25H,15H2,1-3H3.
What are the key properties of 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 332.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 135987671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).