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

C27H26N2O — CID 135987663

IUPAC4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol
SMILESCc1ccccc1-c1cc(-c2ccc(O)cc2)nc(N(C)CCc2ccccc2)c1
InChIInChI=1S/C27H26N2O/c1-20-8-6-7-11-25(20)23-18-26(22-12-14-24(30)15-13-22)28-27(19-23)29(2)17-16-21-9-4-3-5-10-21/h3-15,18-19,30H,16-17H2,1-2H3
InChIKeyPNRRSDWBCUPCNL-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.11
Rot. Bonds6

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

4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol (PubChem CID 135987663) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol
PubChem CID135987663
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol
SMILESCc1ccccc1-c1cc(-c2ccc(O)cc2)nc(N(C)CCc2ccccc2)c1
InChIInChI=1S/C27H26N2O/c1-20-8-6-7-11-25(20)23-18-26(22-12-14-24(30)15-13-22)28-27(19-23)29(2)17-16-21-9-4-3-5-10-21/h3-15,18-19,30H,16-17H2,1-2H3
InChIKeyPNRRSDWBCUPCNL-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 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol?
The IUPAC name of 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol (CID 135987663) is 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol?
The canonical SMILES for 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol is Cc1ccccc1-c1cc(-c2ccc(O)cc2)nc(N(C)CCc2ccccc2)c1.
What is the InChIKey of 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol?
The InChIKey is PNRRSDWBCUPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-20-8-6-7-11-25(20)23-18-26(22-12-14-24(30)15-13-22)28-27(19-23)29(2)17-16-21-9-4-3-5-10-21/h3-15,18-19,30H,16-17H2,1-2H3.
What are the key properties of 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol?
4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-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 4-[4-(2-methylphenyl)-6-[methyl(2-phenylethyl)amino]-2-pyridinyl]phenol is sourced from PubChem (CID 135987663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).