6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol

C25H30N2O2 — CID 67867547

IUPAC6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H30N2O2/c1-25(2,18-28)14-6-7-15-29-24-17-21(19-10-12-22(26)13-11-19)16-23(27-24)20-8-4-3-5-9-20/h3-5,8-13,16-17,28H,6-7,14-15,18,26H2,1-2H3
InChIKeyREGGLCLLAYHVHG-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.57
Rot. Bonds9

About 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol

6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol (PubChem CID 67867547) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol
PubChem CID67867547
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H30N2O2/c1-25(2,18-28)14-6-7-15-29-24-17-21(19-10-12-22(26)13-11-19)16-23(27-24)20-8-4-3-5-9-20/h3-5,8-13,16-17,28H,6-7,14-15,18,26H2,1-2H3
InChIKeyREGGLCLLAYHVHG-UHFFFAOYSA-N
XLogP5.57
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol?
The IUPAC name of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol (CID 67867547) is 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol.
What is the SMILES notation for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol?
The canonical SMILES for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol is CC(C)(CO)CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol?
The InChIKey is REGGLCLLAYHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-25(2,18-28)14-6-7-15-29-24-17-21(19-10-12-22(26)13-11-19)16-23(27-24)20-8-4-3-5-9-20/h3-5,8-13,16-17,28H,6-7,14-15,18,26H2,1-2H3.
What are the key properties of 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol?
6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol has a molecular weight of 390.53 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-aminophenyl)-6-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-ol is sourced from PubChem (CID 67867547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).