N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine

C170H220N6O12P6 — CID 161225226

About N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine

N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine (PubChem CID 161225226) has the molecular formula C170H220N6O12P6 and a molecular weight of 2725.50 g/mol. Its IUPAC name is N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine.

Molecular Properties

• Compound Name: N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine
• PubChem CID: 161225226
• Molecular Formula: C170H220N6O12P6
• Molecular Weight: 2725.50 g/mol
• Exact Mass: 2723.52
• IUPAC Name: N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine
• SMILES: CCN(CC)Cc1cccc(C)c1Pc1cc(C(C)(C)C)cc(C(C)(C)C)c1OCOC.CCN(CC)Cc1cccc(C)c1Pc1cc(C(C)(C)C)cc(C)c1OCOC.CCN(CC)Cc1cccc(C)c1Pc1cc(C)cc(C(C)(C)C)c1OCOC.COCOc1c(C)cccc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1.COCOc1ccc(C)cc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1.COCOc1ccccc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/2C31H34NO2P.C30H32NO2P.C28H44NO2P.2C25H38NO2P/c1-24-12-11-19-29(30(24)34-23-33-3)35-31-25(2)13-10-18-28(31)22-32(20-26-14-6-4-7-15-26)21-27-16-8-5-9-17-27;1-24-17-18-29(34-23-33-3)30(19-24)35-31-25(2)11-10-16-28(31)22-32(20-26-12-6-4-7-13-26)21-27-14-8-5-9-15-27;1-24-12-11-17-27(30(24)34-29-19-10-9-18-28(29)33-23-32-2)22-31(20-25-13-5-3-6-14-25)21-26-15-7-4-8-16-26;1-11-29(12-2)18-21-15-13-14-20(3)26(21)32-24-17-22(27(4,5)6)16-23(28(7,8)9)25(24)31-19-30-10;1-9-26(10-2)16-20-13-11-12-19(4)24(20)29-22-15-18(3)14-21(25(5,6)7)23(22)28-17-27-8;1-9-26(10-2)16-20-13-11-12-18(3)24(20)29-22-15-21(25(5,6)7)14-19(4)23(22)28-17-27-8/h2*4-19,35H,20-23H2,1-3H3;3-19,34H,20-23H2,1-2H3;13-17,32H,11-12,18-19H2,1-10H3;2*11-15,29H,9-10,16-17H2,1-8H3
• InChIKey: UYAKRZZRCBNYNX-UHFFFAOYSA-N
• XLogP: 34.20
• TPSA: 130.20 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 60
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2725.50
LogP ≤ 5	34.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine?

The IUPAC name of N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine (CID 161225226) is N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine.

What is the SMILES notation for N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine?

The canonical SMILES for N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(C)c1Pc1cc(C(C)(C)C)cc(C(C)(C)C)c1OCOC.CCN(CC)Cc1cccc(C)c1Pc1cc(C(C)(C)C)cc(C)c1OCOC.CCN(CC)Cc1cccc(C)c1Pc1cc(C)cc(C(C)(C)C)c1OCOC.COCOc1c(C)cccc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1.COCOc1ccc(C)cc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1.COCOc1ccccc1Pc1c(C)cccc1CN(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine?

The InChIKey is UYAKRZZRCBNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34NO2P.C30H32NO2P.C28H44NO2P.2C25H38NO2P/c1-24-12-11-19-29(30(24)34-23-33-3)35-31-25(2)13-10-18-28(31)22-32(20-26-14-6-4-7-15-26)21-27-16-8-5-9-17-27;1-24-17-18-29(34-23-33-3)30(19-24)35-31-25(2)11-10-16-28(31)22-32(20-26-12-6-4-7-13-26)21-27-14-8-5-9-15-27;1-24-12-11-17-27(30(24)34-29-19-10-9-18-28(29)33-23-32-2)22-31(20-25-13-5-3-6-14-25)21-26-15-7-4-8-16-26;1-11-29(12-2)18-21-15-13-14-20(3)26(21)32-24-17-22(27(4,5)6)16-23(28(7,8)9)25(24)31-19-30-10;1-9-26(10-2)16-20-13-11-12-19(4)24(20)29-22-15-18(3)14-21(25(5,6)7)23(22)28-17-27-8;1-9-26(10-2)16-20-13-11-12-18(3)24(20)29-22-15-21(25(5,6)7)14-19(4)23(22)28-17-27-8/h2*4-19,35H,20-23H2,1-3H3;3-19,34H,20-23H2,1-2H3;13-17,32H,11-12,18-19H2,1-10H3;2*11-15,29H,9-10,16-17H2,1-8H3.

What are the key properties of N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine?

N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine has a molecular weight of 2725.50 g/mol, XLogP of 34.20, 60 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-benzyl-N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-1-phenylmethanamine;N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine;N-[[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 161225226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).