3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

C125H105F4N13O7 — CID 165072162

About 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 165072162) has the molecular formula C125H105F4N13O7 and a molecular weight of 1977.29 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• PubChem CID: 165072162
• Molecular Formula: C125H105F4N13O7
• Molecular Weight: 1977.29 g/mol
• Exact Mass: 1975.82
• IUPAC Name: 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• SMILES: CNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CNc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)c(F)c1
• InChI: InChI=1S/C21H21NO.C19H16FNO.C18H16N2O.3C17H13FN2O.C16H13N3O/c1-15-6-4-5-7-20(15)21-13-12-19(14-16(21)2)23-18-10-8-17(22-3)9-11-18;1-21-16-9-12-19(18(20)13-16)22-17-10-7-15(8-11-17)14-5-3-2-4-6-14;1-19-16-9-12-18(20-13-16)21-17-10-7-15(8-11-17)14-5-3-2-4-6-14;18-14-5-1-12(2-6-14)13-3-8-16(9-4-13)21-17-10-7-15(19)11-20-17;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/h4-14,22H,1-3H3;2-13,21H,1H3;2-13,19H,1H3;3*1-11H,19H2;1-11H,17H2
• InChIKey: SYGYRXBZKDSPRG-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 282.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.29
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'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 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The IUPAC name of 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (CID 165072162) is 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

What is the SMILES notation for 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The canonical SMILES for 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is CNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CNc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)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 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The InChIKey is SYGYRXBZKDSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.C19H16FNO.C18H16N2O.3C17H13FN2O.C16H13N3O/c1-15-6-4-5-7-20(15)21-13-12-19(14-16(21)2)23-18-10-8-17(22-3)9-11-18;1-21-16-9-12-19(18(20)13-16)22-17-10-7-15(8-11-17)14-5-3-2-4-6-14;1-19-16-9-12-18(20-13-16)21-17-10-7-15(8-11-17)14-5-3-2-4-6-14;18-14-5-1-12(2-6-14)13-3-8-16(9-4-13)21-17-10-7-15(19)11-20-17;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/h4-14,22H,1-3H3;2-13,21H,1H3;2-13,19H,1H3;3*1-11H,19H2;1-11H,17H2.

What are the key properties of 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 1977.29 g/mol, XLogP of 32.02, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 165072162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).