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

C125H110F2N12O7S2 — CID 164965300

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

5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 164965300) has the molecular formula C125H110F2N12O7S2 and a molecular weight of 1994.46 g/mol. Its IUPAC name is 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• PubChem CID: 164965300
• Molecular Formula: C125H110F2N12O7S2
• Molecular Weight: 1994.46 g/mol
• Exact Mass: 1992.80
• IUPAC Name: 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
• SMILES: CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.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.Nc1ccc(Oc2ccc(-c3nccs3)cc2)nc1
• InChI: InChI=1S/C22H22O.C21H21NO.C20H19NO.2C17H13FN2O.2C14H11N3OS/c1-4-18-9-11-19(12-10-18)23-20-13-14-22(17(3)15-20)21-8-6-5-7-16(21)2;1-4-17-9-12-21(22-14-17)23-18-10-11-20(16(3)13-18)19-8-6-5-7-15(19)2;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;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;15-11-3-6-13(17-9-11)18-12-4-1-10(2-5-12)14-16-7-8-19-14/h5-15H,4H2,1-3H3;5-14H,4H2,1-3H3;3-13H,21H2,1-2H3;2*1-11H,19H2;2*1-9H,15H2
• InChIKey: CKCGRPADQROXHF-UHFFFAOYSA-N
• XLogP: 33.07
• TPSA: 284.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.46
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	5
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 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?

The IUPAC name of 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 164965300) is 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

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

The canonical SMILES for 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CCc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.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.Nc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.

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

The InChIKey is CKCGRPADQROXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O.C21H21NO.C20H19NO.2C17H13FN2O.2C14H11N3OS/c1-4-18-9-11-19(12-10-18)23-20-13-14-22(17(3)15-20)21-8-6-5-7-16(21)2;1-4-17-9-12-21(22-14-17)23-18-10-11-20(16(3)13-18)19-8-6-5-7-15(19)2;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;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;15-11-3-6-13(17-9-11)18-12-4-1-10(2-5-12)14-16-7-8-19-14/h5-15H,4H2,1-3H3;5-14H,4H2,1-3H3;3-13H,21H2,1-2H3;2*1-11H,19H2;2*1-9H,15H2.

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

5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 1994.46 g/mol, XLogP of 33.07, 23 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-[3-methyl-4-(2-methylphenyl)phenoxy]pyridine;4-(4-ethylphenoxy)-2-methyl-1-(2-methylphenyl)benzene;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-4-ylphenoxy)aniline;4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 164965300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).