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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

C118H95F4N15O7S — CID 164954485

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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 164954485) has the molecular formula C118H95F4N15O7S and a molecular weight of 1943.21 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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• PubChem CID: 164954485
• Molecular Formula: C118H95F4N15O7S
• Molecular Weight: 1943.21 g/mol
• Exact Mass: 1941.72
• 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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• SMILES: CNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CNc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.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.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
• InChI: InChI=1S/C19H16FNO.C18H16N2O.3C17H13FN2O.C16H13N3O.C14H11N3OS/c1-21-16-9-12-19(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;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h2-13,21H,1H3;2-13,19H,1H3;3*1-11H,19H2;1-11H,17H2;1-9H,15H2
• InChIKey: AZIYMTGYPMURPK-UHFFFAOYSA-N
• XLogP: 29.79
• TPSA: 321.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.21
LogP ≤ 5	29.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 164954485) 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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is CNc1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1.CNc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.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.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.

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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

The InChIKey is AZIYMTGYPMURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO.C18H16N2O.3C17H13FN2O.C16H13N3O.C14H11N3OS/c1-21-16-9-12-19(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;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h2-13,21H,1H3;2-13,19H,1H3;3*1-11H,19H2;1-11H,17H2;1-9H,15H2.

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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 1943.21 g/mol, XLogP of 29.79, 23 rotatable bonds, 7 hydrogen bond donors, and 23 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-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 164954485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).