2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine

C25H28NP — CID 132595705

IUPAC2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C/C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H28NP/c1-19-16-20(2)24(21(3)17-19)26-18-25(4,5)27(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-18H,1-5H3/b26-18+
InChIKeyGXNJAZYAUKBCPR-NLRVBDNBSA-N
MW373.48 g/mol
LogP6.23
Rot. Bonds5

About 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine

2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine (PubChem CID 132595705) has the molecular formula C25H28NP and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
PubChem CID132595705
Molecular FormulaC25H28NP
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C/C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H28NP/c1-19-16-20(2)24(21(3)17-19)26-18-25(4,5)27(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-18H,1-5H3/b26-18+
InChIKeyGXNJAZYAUKBCPR-NLRVBDNBSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The IUPAC name of 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine (CID 132595705) is 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine.
What is the SMILES notation for 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The canonical SMILES for 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine is Cc1cc(C)c(/N=C/C(C)(C)P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The InChIKey is GXNJAZYAUKBCPR-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H28NP/c1-19-16-20(2)24(21(3)17-19)26-18-25(4,5)27(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-18H,1-5H3/b26-18+.
What are the key properties of 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine has a molecular weight of 373.48 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine is sourced from PubChem (CID 132595705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).