(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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

C127H110F4N12O6S2 — CID 165084431

About (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 165084431) has the molecular formula C127H110F4N12O6S2 and a molecular weight of 2040.48 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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: 165084431
• Molecular Formula: C127H110F4N12O6S2
• Molecular Weight: 2040.48 g/mol
• Exact Mass: 2038.80
• IUPAC Name: (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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
• SMILES: CNc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.COC(c1ccc(N)cc1)c1ccc(-c2ccc(F)cc2)cc1.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.Nc1ccc(Cc2ccc(-c3ccc(F)cc3)cc2)cc1
• InChI: InChI=1S/C20H18FNO.C20H20N2O.C19H16FNO.C19H14FNO.C19H16FN.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;20-18-9-7-17(8-10-18)16-5-1-14(2-6-16)13-15-3-11-19(21)12-4-15;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;1-12H,13,21H2;2-10,16H,1H3;2-9H,16H2,1H3
• InChIKey: VQMSCMJAIRNSIW-UHFFFAOYSA-N
• XLogP: 30.91
• TPSA: 306.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.48
LogP ≤ 5	30.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 165084431) is (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 CNc1ccc(Oc2ccc(-c3nccs3)cc2)nc1.COC(c1ccc(N)cc1)c1ccc(-c2ccc(F)cc2)cc1.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.Nc1ccc(Cc2ccc(-c3ccc(F)cc3)cc2)cc1.

What is the InChIKey of (4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 VQMSCMJAIRNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO.C20H20N2O.C19H16FNO.C19H14FNO.C19H16FN.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;20-18-9-7-17(8-10-18)16-5-1-14(2-6-16)13-15-3-11-19(21)12-4-15;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;1-12H,13,21H2;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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 2040.48 g/mol, XLogP of 30.91, 23 rotatable bonds, 8 hydrogen bond donors, and 20 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;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]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 165084431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).