[4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C103H107F2N9O6S2 — CID 162218063

About [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

[4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 162218063) has the molecular formula C103H107F2N9O6S2 and a molecular weight of 1669.18 g/mol. Its IUPAC name is [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
• PubChem CID: 162218063
• Molecular Formula: C103H107F2N9O6S2
• Molecular Weight: 1669.18 g/mol
• Exact Mass: 1667.78
• IUPAC Name: [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
• SMILES: COc1ccc(CN(Cc2ccc(C)cc2)Cc2nccs2)cc1.Cc1ccc(CN(Cc2ccc(F)cc2)Cc2nccs2)cc1.Cc1ccc(CN(Cc2ccccc2)Cc2ccc(CO)cc2)cc1.Cc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1.Oc1ccc(O)c(CN(Cc2ccncc2)Cc2cc(O)ccc2O)c1
• InChI: InChI=1S/C23H25NO.C21H21FN2.C20H20N2O4.C20H22N2OS.C19H19FN2S/c1-19-7-9-21(10-8-19)16-24(15-20-5-3-2-4-6-20)17-22-11-13-23(18-25)14-12-22;1-17-2-4-18(5-3-17)14-24(16-20-10-12-23-13-11-20)15-19-6-8-21(22)9-7-19;23-17-1-3-19(25)15(9-17)12-22(11-14-5-7-21-8-6-14)13-16-10-18(24)2-4-20(16)26;1-16-3-5-17(6-4-16)13-22(15-20-21-11-12-24-20)14-18-7-9-19(23-2)10-8-18;1-15-2-4-16(5-3-15)12-22(14-19-21-10-11-23-19)13-17-6-8-18(20)9-7-17/h2-14,25H,15-18H2,1H3;2-13H,14-16H2,1H3;1-10,23-26H,11-13H2;3-12H,13-15H2,1-2H3;2-11H,12-14H2,1H3
• InChIKey: ZTSYBEVWHMBBRO-UHFFFAOYSA-N
• XLogP: 21.98
• TPSA: 178.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 32
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.18
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?

The IUPAC name of [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 162218063) is [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

What is the SMILES notation for [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?

The canonical SMILES for [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is COc1ccc(CN(Cc2ccc(C)cc2)Cc2nccs2)cc1.Cc1ccc(CN(Cc2ccc(F)cc2)Cc2nccs2)cc1.Cc1ccc(CN(Cc2ccccc2)Cc2ccc(CO)cc2)cc1.Cc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1.Oc1ccc(O)c(CN(Cc2ccncc2)Cc2cc(O)ccc2O)c1.

What is the InChIKey of [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?

The InChIKey is ZTSYBEVWHMBBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.C21H21FN2.C20H20N2O4.C20H22N2OS.C19H19FN2S/c1-19-7-9-21(10-8-19)16-24(15-20-5-3-2-4-6-20)17-22-11-13-23(18-25)14-12-22;1-17-2-4-18(5-3-17)14-24(16-20-10-12-23-13-11-20)15-19-6-8-21(22)9-7-19;23-17-1-3-19(25)15(9-17)12-22(11-14-5-7-21-8-6-14)13-16-10-18(24)2-4-20(16)26;1-16-3-5-17(6-4-16)13-22(15-20-21-11-12-24-20)14-18-7-9-19(23-2)10-8-18;1-15-2-4-16(5-3-15)12-22(14-19-21-10-11-23-19)13-17-6-8-18(20)9-7-17/h2-14,25H,15-18H2,1H3;2-13H,14-16H2,1H3;1-10,23-26H,11-13H2;3-12H,13-15H2,1-2H3;2-11H,12-14H2,1H3.

What are the key properties of [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?

[4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 1669.18 g/mol, XLogP of 21.98, 32 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 162218063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).