2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline

C115H154N5O10P5 — CID 160871428

About 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline

2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline (PubChem CID 160871428) has the molecular formula C115H154N5O10P5 and a molecular weight of 1921.39 g/mol. Its IUPAC name is 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline.

Molecular Properties

• Compound Name: 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline
• PubChem CID: 160871428
• Molecular Formula: C115H154N5O10P5
• Molecular Weight: 1921.39 g/mol
• Exact Mass: 1920.04
• IUPAC Name: 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline
• SMILES: COCOc1c(C)cc(C(C)(C)C)cc1Pc1ccc(C)cc1N(C)C.COCOc1c(Cc2ccccc2)cccc1Pc1ccccc1N(C)C.COCOc1c(Pc2ccc(C)cc2N(C)C)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1c(Pc2ccc(C)cc2N(C)C)cc(C)cc1C(C)(C)C.COCOc1ccc(Cc2ccccc2)cc1Pc1ccccc1N(C)C
• InChI: InChI=1S/C25H38NO2P.2C23H26NO2P.2C22H32NO2P/c1-17-11-12-21(20(13-17)26(8)9)29-22-15-18(24(2,3)4)14-19(25(5,6)7)23(22)28-16-27-10;1-24(2)20-13-7-8-14-21(20)27-22-15-9-12-19(23(22)26-17-25-3)16-18-10-5-4-6-11-18;1-24(2)20-11-7-8-12-22(20)27-23-16-19(13-14-21(23)26-17-25-3)15-18-9-5-4-6-10-18;1-15-9-10-19(18(12-15)23(6)7)26-20-13-16(2)11-17(22(3,4)5)21(20)25-14-24-8;1-15-9-10-19(18(11-15)23(6)7)26-20-13-17(22(3,4)5)12-16(2)21(20)25-14-24-8/h11-15,29H,16H2,1-10H3;4-15,27H,16-17H2,1-3H3;4-14,16,27H,15,17H2,1-3H3;2*9-13,26H,14H2,1-8H3
• InChIKey: SLURBRJCNMKSRR-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 108.50 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 34
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.39
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline?

The IUPAC name of 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline (CID 160871428) is 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline.

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

The canonical SMILES for 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline is COCOc1c(C)cc(C(C)(C)C)cc1Pc1ccc(C)cc1N(C)C.COCOc1c(Cc2ccccc2)cccc1Pc1ccccc1N(C)C.COCOc1c(Pc2ccc(C)cc2N(C)C)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1c(Pc2ccc(C)cc2N(C)C)cc(C)cc1C(C)(C)C.COCOc1ccc(Cc2ccccc2)cc1Pc1ccccc1N(C)C.

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

The InChIKey is SLURBRJCNMKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38NO2P.2C23H26NO2P.2C22H32NO2P/c1-17-11-12-21(20(13-17)26(8)9)29-22-15-18(24(2,3)4)14-19(25(5,6)7)23(22)28-16-27-10;1-24(2)20-13-7-8-14-21(20)27-22-15-9-12-19(23(22)26-17-25-3)16-18-10-5-4-6-11-18;1-24(2)20-11-7-8-12-22(20)27-23-16-19(13-14-21(23)26-17-25-3)15-18-9-5-4-6-10-18;1-15-9-10-19(18(12-15)23(6)7)26-20-13-16(2)11-17(22(3,4)5)21(20)25-14-24-8;1-15-9-10-19(18(11-15)23(6)7)26-20-13-17(22(3,4)5)12-16(2)21(20)25-14-24-8/h11-15,29H,16H2,1-10H3;4-15,27H,16-17H2,1-3H3;4-14,16,27H,15,17H2,1-3H3;2*9-13,26H,14H2,1-8H3.

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

2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline has a molecular weight of 1921.39 g/mol, XLogP of 21.74, 34 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[5-benzyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N-dimethylaniline;2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-N,N,5-trimethylaniline;2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-N,N,5-trimethylaniline is sourced from PubChem (CID 160871428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).