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

C91H78N14O6 — CID 165079543

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

6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine (PubChem CID 165079543) has the molecular formula C91H78N14O6 and a molecular weight of 1463.72 g/mol. Its IUPAC name is 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
• PubChem CID: 165079543
• Molecular Formula: C91H78N14O6
• Molecular Weight: 1463.72 g/mol
• Exact Mass: 1462.62
• IUPAC Name: 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
• SMILES: CCc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(OCCc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)nc1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)nc1
• InChI: InChI=1S/C25H23N3O2.C18H16N2O.3C16H13N3O/c26-20-6-9-22(10-7-20)29-15-14-19-16-23(30-25-13-8-21(27)17-28-25)11-12-24(19)18-4-2-1-3-5-18;1-2-14-8-11-18(20-12-14)21-16-9-10-17(19-13-16)15-6-4-3-5-7-15;17-14-3-6-16(19-11-14)20-15-4-1-12(2-5-15)13-7-9-18-10-8-13;17-14-5-8-16(19-11-14)20-15-6-3-12(4-7-15)13-2-1-9-18-10-13;17-13-6-9-16(19-11-13)20-14-7-4-12(5-8-14)15-3-1-2-10-18-15/h1-13,16-17H,14-15,26-27H2;3-13H,2H2,1H3;3*1-11H,17H2
• InChIKey: UWTHFVZPZCMDCH-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 301.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.72
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine (CID 165079543) is 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine.

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

The canonical SMILES for 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine is CCc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(OCCc2cc(Oc3ccc(N)cn3)ccc2-c2ccccc2)cc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)nc1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)nc1.

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

The InChIKey is UWTHFVZPZCMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C18H16N2O.3C16H13N3O/c26-20-6-9-22(10-7-20)29-15-14-19-16-23(30-25-13-8-21(27)17-28-25)11-12-24(19)18-4-2-1-3-5-18;1-2-14-8-11-18(20-12-14)21-16-9-10-17(19-13-16)15-6-4-3-5-7-15;17-14-3-6-16(19-11-14)20-15-4-1-12(2-5-15)13-7-9-18-10-8-13;17-14-5-8-16(19-11-14)20-15-6-3-12(4-7-15)13-2-1-9-18-10-13;17-13-6-9-16(19-11-13)20-14-7-4-12(5-8-14)15-3-1-2-10-18-15/h1-13,16-17H,14-15,26-27H2;3-13H,2H2,1H3;3*1-11H,17H2.

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

6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine has a molecular weight of 1463.72 g/mol, XLogP of 20.38, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine is sourced from PubChem (CID 165079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).