4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

C89H73F3N8O5 — CID 164965802

About 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 164965802) has the molecular formula C89H73F3N8O5 and a molecular weight of 1391.61 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

Molecular Properties

• Compound Name: 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• PubChem CID: 164965802
• Molecular Formula: C89H73F3N8O5
• Molecular Weight: 1391.61 g/mol
• Exact Mass: 1390.57
• IUPAC Name: 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• SMILES: CCc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CCc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1
• InChI: InChI=1S/C20H17FO.C19H17NO.2C17H13FN2O.C16H13N3O/c1-2-15-8-13-20(19(21)14-15)22-18-11-9-17(10-12-18)16-6-4-3-5-7-16;1-2-15-8-13-19(20-14-15)21-18-11-9-17(10-12-18)16-6-4-3-5-7-16;18-16-10-14(19)5-8-17(16)21-15-6-3-12(4-7-15)13-2-1-9-20-11-13;18-15-11-13(19)6-9-17(15)21-14-7-4-12(5-8-14)16-3-1-2-10-20-16;17-13-6-9-16(19-10-13)20-14-7-8-15(18-11-14)12-4-2-1-3-5-12/h3-14H,2H2,1H3;3-14H,2H2,1H3;2*1-11H,19H2;1-11H,17H2
• InChIKey: CLRVXLAGMIWGMC-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 188.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.61
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The IUPAC name of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (CID 164965802) is 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

What is the SMILES notation for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The canonical SMILES for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is CCc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CCc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1.

What is the InChIKey of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The InChIKey is CLRVXLAGMIWGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO.C19H17NO.2C17H13FN2O.C16H13N3O/c1-2-15-8-13-20(19(21)14-15)22-18-11-9-17(10-12-18)16-6-4-3-5-7-16;1-2-15-8-13-19(20-14-15)21-18-11-9-17(10-12-18)16-6-4-3-5-7-16;18-16-10-14(19)5-8-17(16)21-15-6-3-12(4-7-15)13-2-1-9-20-11-13;18-15-11-13(19)6-9-17(15)21-14-7-4-12(5-8-14)16-3-1-2-10-20-16;17-13-6-9-16(19-10-13)20-14-7-8-15(18-11-14)12-4-2-1-3-5-12/h3-14H,2H2,1H3;3-14H,2H2,1H3;2*1-11H,19H2;1-11H,17H2.

What are the key properties of 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 1391.61 g/mol, XLogP of 22.99, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 164965802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).