(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine

C141H123F3N16O8S3 — CID 165071737

IUPAC(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.CNc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.COC(c1ccc(N)cc1)c1ccc(-c2ccc(F)cc2)cc1.Cc1cc(Oc2ccc(-c3ccccc3)nc2)ncc1N.Cc1cc(Oc2ccc(-c3ccccc3C)c(C)c2)ncc1N.Cc1cc(Oc2ccc(-c3nccs3)cc2)ncc1N.Nc1ccc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1.Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H18FNO.C20H20N2O.C19H16FNO.C19H14FNO.C17H15N3O.C16H14N2OS.2C15H13N3OS/c1-23-20(17-8-12-19(22)13-9-17)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15;1-13-6-4-5-7-17(13)18-9-8-16(10-14(18)2)23-20-11-15(3)19(21)12-22-20;2*20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16;1-12-9-17(20-11-15(12)18)21-14-7-8-16(19-10-14)13-5-3-2-4-6-13;1-2-12-3-8-16(18-9-12)19-14-6-4-13(5-7-14)15-10-17-11-20-15;1-16-12-4-7-14(18-10-12)19-13-5-2-11(3-6-13)15-17-8-9-20-15;1-10-8-14(18-9-13(10)16)19-12-4-2-11(3-5-12)15-17-6-7-20-15/h2-13,20H,22H2,1H3;4-12H,21H2,1-3H3;1-12,19,22H,21H2;1-12H,21H2;2-11H,18H2,1H3;3-11H,2H2,1H3;2-10,16H,1H3;2-9H,16H2,1H3
InChIKeySWMLMJBJBFOIMI-UHFFFAOYSA-N
MW2322.83 g/mol
LogP34.63
Rot. Bonds27

About (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine

(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine (PubChem CID 165071737) has the molecular formula C141H123F3N16O8S3 and a molecular weight of 2322.83 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
PubChem CID165071737
Molecular FormulaC141H123F3N16O8S3
Molecular Weight2322.83 g/mol
Exact Mass2320.88
IUPAC Name(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.CNc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.COC(c1ccc(N)cc1)c1ccc(-c2ccc(F)cc2)cc1.Cc1cc(Oc2ccc(-c3ccccc3)nc2)ncc1N.Cc1cc(Oc2ccc(-c3ccccc3C)c(C)c2)ncc1N.Cc1cc(Oc2ccc(-c3nccs3)cc2)ncc1N.Nc1ccc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1.Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H18FNO.C20H20N2O.C19H16FNO.C19H14FNO.C17H15N3O.C16H14N2OS.2C15H13N3OS/c1-23-20(17-8-12-19(22)13-9-17)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15;1-13-6-4-5-7-17(13)18-9-8-16(10-14(18)2)23-20-11-15(3)19(21)12-22-20;2*20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16;1-12-9-17(20-11-15(12)18)21-14-7-8-16(19-10-14)13-5-3-2-4-6-13;1-2-12-3-8-16(18-9-12)19-14-6-4-13(5-7-14)15-10-17-11-20-15;1-16-12-4-7-14(18-10-12)19-13-5-2-11(3-6-13)15-17-8-9-20-15;1-10-8-14(18-9-13(10)16)19-12-4-2-11(3-5-12)15-17-6-7-20-15/h2-13,20H,22H2,1H3;4-12H,21H2,1-3H3;1-12,19,22H,21H2;1-12H,21H2;2-11H,18H2,1H3;3-11H,2H2,1H3;2-10,16H,1H3;2-9H,16H2,1H3
InChIKeySWMLMJBJBFOIMI-UHFFFAOYSA-N
XLogP34.63
TPSA376.84 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms171
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.83
LogP ≤ 534.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The IUPAC name of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine (CID 165071737) is (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine is CCc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.CNc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.COC(c1ccc(N)cc1)c1ccc(-c2ccc(F)cc2)cc1.Cc1cc(Oc2ccc(-c3ccccc3)nc2)ncc1N.Cc1cc(Oc2ccc(-c3ccccc3C)c(C)c2)ncc1N.Cc1cc(Oc2ccc(-c3nccs3)cc2)ncc1N.Nc1ccc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1.Nc1ccc(C(O)c2ccc(-c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
The InChIKey is SWMLMJBJBFOIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO.C20H20N2O.C19H16FNO.C19H14FNO.C17H15N3O.C16H14N2OS.2C15H13N3OS/c1-23-20(17-8-12-19(22)13-9-17)16-4-2-14(3-5-16)15-6-10-18(21)11-7-15;1-13-6-4-5-7-17(13)18-9-8-16(10-14(18)2)23-20-11-15(3)19(21)12-22-20;2*20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16;1-12-9-17(20-11-15(12)18)21-14-7-8-16(19-10-14)13-5-3-2-4-6-13;1-2-12-3-8-16(18-9-12)19-14-6-4-13(5-7-14)15-10-17-11-20-15;1-16-12-4-7-14(18-10-12)19-13-5-2-11(3-6-13)15-17-8-9-20-15;1-10-8-14(18-9-13(10)16)19-12-4-2-11(3-5-12)15-17-6-7-20-15/h2-13,20H,22H2,1H3;4-12H,21H2,1-3H3;1-12,19,22H,21H2;1-12H,21H2;2-11H,18H2,1H3;3-11H,2H2,1H3;2-10,16H,1H3;2-9H,16H2,1H3.
What are the key properties of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine?
(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine has a molecular weight of 2322.83 g/mol, XLogP of 34.63, 27 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 165071737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).