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

C27H26N2O — CID 135507181

IUPAC2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)n2)ccc1O
InChIInChI=1S/C27H26N2O/c1-20-17-23(13-14-26(20)30)25-18-24(22-11-7-4-8-12-22)19-27(28-25)29(2)16-15-21-9-5-3-6-10-21/h3-14,17-19,30H,15-16H2,1-2H3
InChIKeyCNZVGKSWGGJIMU-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.11
Rot. Bonds6

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

2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol (PubChem CID 135507181) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol
PubChem CID135507181
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)n2)ccc1O
InChIInChI=1S/C27H26N2O/c1-20-17-23(13-14-26(20)30)25-18-24(22-11-7-4-8-12-22)19-27(28-25)29(2)16-15-21-9-5-3-6-10-21/h3-14,17-19,30H,15-16H2,1-2H3
InChIKeyCNZVGKSWGGJIMU-UHFFFAOYSA-N
XLogP6.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.11
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-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol (CID 135507181) is 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)n2)ccc1O.
What is the InChIKey of 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is CNZVGKSWGGJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-20-17-23(13-14-26(20)30)25-18-24(22-11-7-4-8-12-22)19-27(28-25)29(2)16-15-21-9-5-3-6-10-21/h3-14,17-19,30H,15-16H2,1-2H3.
What are the key properties of 2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
2-methyl-4-[6-[methyl(2-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 394.52 g/mol, XLogP of 6.11, 6 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-phenylethyl)amino]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 135507181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).