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

C23H26N2O — CID 135987662

IUPAC2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)n2)ccc1O
InChIInChI=1S/C23H26N2O/c1-16(2)15-25(4)23-14-20(18-8-6-5-7-9-18)13-21(24-23)19-10-11-22(26)17(3)12-19/h5-14,16,26H,15H2,1-4H3
InChIKeyBFQHXILWHBWRRV-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.52
Rot. Bonds5

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

2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol (PubChem CID 135987662) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
PubChem CID135987662
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)n2)ccc1O
InChIInChI=1S/C23H26N2O/c1-16(2)15-25(4)23-14-20(18-8-6-5-7-9-18)13-21(24-23)19-10-11-22(26)17(3)12-19/h5-14,16,26H,15H2,1-4H3
InChIKeyBFQHXILWHBWRRV-UHFFFAOYSA-N
XLogP5.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol (CID 135987662) is 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)n2)ccc1O.
What is the InChIKey of 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is BFQHXILWHBWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16(2)15-25(4)23-14-20(18-8-6-5-7-9-18)13-21(24-23)19-10-11-22(26)17(3)12-19/h5-14,16,26H,15H2,1-4H3.
What are the key properties of 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol?
2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 346.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-[methyl(2-methylpropyl)amino]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 135987662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).