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

C107H94F2N12O6S — CID 164951561

IUPAC6-[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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1N.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
InChIInChI=1S/C21H21NO.C20H20N2O.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;1-13-11-18(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;2-12H,19H2,1H3;2*1-11H,19H2;1-9H,15H2
InChIKeyAPHPUVYFYPVEEQ-UHFFFAOYSA-N
MW1714.07 g/mol
LogP27.54
Rot. Bonds20

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-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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 164951561) has the molecular formula C107H94F2N12O6S and a molecular weight of 1714.07 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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
PubChem CID164951561
Molecular FormulaC107H94F2N12O6S
Molecular Weight1714.07 g/mol
Exact Mass1712.71
IUPAC Name6-[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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)cc1.CNc1ccc(Oc2ccc(-c3ccccc3C)c(C)c2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1N.Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)c(F)c1.Nc1ccc(Oc2ccc(-c3cncs3)cc2)nc1
InChIInChI=1S/C21H21NO.C20H20N2O.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;1-13-11-18(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;2-12H,19H2,1H3;2*1-11H,19H2;1-9H,15H2
InChIKeyAPHPUVYFYPVEEQ-UHFFFAOYSA-N
XLogP27.54
TPSA260.86 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.07
LogP ≤ 527.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine with MolForge

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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-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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 164951561) 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-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-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-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.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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The InChIKey is APHPUVYFYPVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.C20H20N2O.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;1-13-11-18(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;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-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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 1714.07 g/mol, XLogP of 27.54, 20 rotatable bonds, 6 hydrogen bond donors, and 19 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-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 164951561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).