6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine

C25H29FN2O — CID 22089163

IUPAC6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H29FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15,18,27H2,1-2H3
InChIKeyMLFIIXSBBCJAKR-UHFFFAOYSA-N
MW392.52 g/mol
LogP6.09
Rot. Bonds9

About 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine

6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine (PubChem CID 22089163) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine
PubChem CID22089163
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H29FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15,18,27H2,1-2H3
InChIKeyMLFIIXSBBCJAKR-UHFFFAOYSA-N
XLogP6.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine (CID 22089163) is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine?
The InChIKey is MLFIIXSBBCJAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-25(2,18-27)14-6-7-15-29-24-17-21(19-8-4-3-5-9-19)16-23(28-24)20-10-12-22(26)13-11-20/h3-5,8-13,16-17H,6-7,14-15,18,27H2,1-2H3.
What are the key properties of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine?
6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine has a molecular weight of 392.52 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 22089163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).