1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

C143H131ClF5N19O6S2 — CID 161144858

About 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 161144858) has the molecular formula C143H131ClF5N19O6S2 and a molecular weight of 2406.32 g/mol. Its IUPAC name is 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
• PubChem CID: 161144858
• Molecular Formula: C143H131ClF5N19O6S2
• Molecular Weight: 2406.32 g/mol
• Exact Mass: 2403.96
• IUPAC Name: 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine
• SMILES: Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.OCc1ccc(CNc2ccc(F)cn2)cc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccn3)cc2)nc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1
• InChI: InChI=1S/C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H16N2O2.C17H16ClN5.C17H16N4O.C13H13FN2O/c21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18;18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17;1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17;14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10/h1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2;1-10H,11-12H2,(H,21,23)(H,19,20,22);1-11H,12-13H2,(H,19,20,21);1-6,8,17H,7,9H2,(H,15,16)
• InChIKey: UNXJWKOYSBDXNB-UHFFFAOYSA-N
• XLogP: 33.06
• TPSA: 304.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 46
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.32
LogP ≤ 5	33.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?

The IUPAC name of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine (CID 161144858) is 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine.

What is the SMILES notation for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?

The canonical SMILES for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is Clc1cccc(NCc2ccc(CNc3ncccn3)cc2)n1.Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1.Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.OCc1ccc(CNc2ccc(F)cn2)cc1.c1ccc(OCc2ccc(CNc3ncccn3)cc2)nc1.c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1.c1ccc(OCc2ccc(COc3ccccn3)cc2)nc1.c1ccc(SCc2ccc(CSc3ccccc3)cc2)cc1.

What is the InChIKey of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?

The InChIKey is UNXJWKOYSBDXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2.C20H18O2.C20H18S2.C18H16F2N4.C18H16N2O2.C17H16ClN5.C17H16N4O.C13H13FN2O/c21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20;2*1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;19-15-5-7-17(23-11-15)21-9-13-1-2-14(4-3-13)10-22-18-8-6-16(20)12-24-18;1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18;18-15-3-1-4-16(23-15)21-11-13-5-7-14(8-6-13)12-22-17-19-9-2-10-20-17;1-2-9-18-16(4-1)22-13-15-7-5-14(6-8-15)12-21-17-19-10-3-11-20-17;14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10/h1-12,23-24H,13-14H2;2*1-14H,15-16H2;1-8,11-12H,9-10H2,(H,21,23)(H,22,24);1-12H,13-14H2;1-10H,11-12H2,(H,21,23)(H,19,20,22);1-11H,12-13H2,(H,19,20,21);1-6,8,17H,7,9H2,(H,15,16).

What are the key properties of 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine?

1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 2406.32 g/mol, XLogP of 33.06, 46 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(phenoxymethyl)benzene;1,4-bis(phenylsulfanylmethyl)benzene;N-[[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine;[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol;2-[[4-(pyridin-2-yloxymethyl)phenyl]methoxy]pyridine;N-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 161144858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).