6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

C127H113F2N13O7S — CID 164976359

About 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 164976359) has the molecular formula C127H113F2N13O7S and a molecular weight of 2003.45 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• PubChem CID: 164976359
• Molecular Formula: C127H113F2N13O7S
• Molecular Weight: 2003.45 g/mol
• Exact Mass: 2001.86
• IUPAC Name: 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• SMILES: CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1N.Cc1ccccc1-c1ccc(Oc2ccc(N)cc2)cc1C.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
• InChI: InChI=1S/C21H21NO.C20H20N2O.C20H19NO.C18H16N2O.2C17H13FN2O.C14H11N3OS/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;1-14-6-4-5-7-18(14)19-10-9-17(12-15(19)2)23-20-11-8-16(21-3)13-22-20;1-14-5-3-4-6-19(14)20-12-11-18(13-15(20)2)22-17-9-7-16(21)8-10-17;1-13-11-18(20-12-17(13)19)21-16-9-7-15(8-10-16)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;18-16-11-14(19)3-6-17(16)21-15-4-1-12(2-5-15)13-7-9-20-10-8-13;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h4-14,22H,1-3H3;4-13,21H,1-3H3;3-13H,21H2,1-2H3;2-12H,19H2,1H3;2*1-11H,19H2;1-9H,15H2
• InChIKey: DVLUMDHIHQCCLZ-UHFFFAOYSA-N
• XLogP: 32.88
• TPSA: 296.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2003.45
LogP ≤ 5	32.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

The IUPAC name of 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 164976359) is 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

What is the SMILES notation for 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

The canonical SMILES for 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1N.Cc1ccccc1-c1ccc(Oc2ccc(N)cc2)cc1C.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.

What is the InChIKey of 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

The InChIKey is DVLUMDHIHQCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.C20H20N2O.C20H19NO.C18H16N2O.2C17H13FN2O.C14H11N3OS/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;1-14-6-4-5-7-18(14)19-10-9-17(12-15(19)2)23-20-11-8-16(21-3)13-22-20;1-14-5-3-4-6-19(14)20-12-11-18(13-15(20)2)22-17-9-7-16(21)8-10-17;1-13-11-18(20-12-17(13)19)21-16-9-7-15(8-10-16)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;18-16-11-14(19)3-6-17(16)21-15-4-1-12(2-5-15)13-7-9-20-10-8-13;15-11-3-6-14(17-7-11)18-12-4-1-10(2-5-12)13-8-16-9-19-13/h4-14,22H,1-3H3;4-13,21H,1-3H3;3-13H,21H2,1-2H3;2-12H,19H2,1H3;2*1-11H,19H2;1-9H,15H2.

What are the key properties of 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 2003.45 g/mol, XLogP of 32.88, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;4-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 164976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).