N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline

C23H26NO3P — CID 19630519

IUPACN-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline
SMILESCc1ccc(OP(=O)(Nc2c(C)cc(C)cc2C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H26NO3P/c1-16-6-10-21(11-7-16)26-28(25,27-22-12-8-17(2)9-13-22)24-23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3,(H,24,25)
InChIKeyKLXOVXOYJXCQRA-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.91
Rot. Bonds6

About N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline

N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline (PubChem CID 19630519) has the molecular formula C23H26NO3P and a molecular weight of 395.44 g/mol. Its IUPAC name is N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline
PubChem CID19630519
Molecular FormulaC23H26NO3P
Molecular Weight395.44 g/mol
Exact Mass395.17
IUPAC NameN-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline
SMILESCc1ccc(OP(=O)(Nc2c(C)cc(C)cc2C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H26NO3P/c1-16-6-10-21(11-7-16)26-28(25,27-22-12-8-17(2)9-13-22)24-23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3,(H,24,25)
InChIKeyKLXOVXOYJXCQRA-UHFFFAOYSA-N
XLogP6.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline?
The IUPAC name of N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline (CID 19630519) is N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline.
What is the SMILES notation for N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline?
The canonical SMILES for N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline is Cc1ccc(OP(=O)(Nc2c(C)cc(C)cc2C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline?
The InChIKey is KLXOVXOYJXCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO3P/c1-16-6-10-21(11-7-16)26-28(25,27-22-12-8-17(2)9-13-22)24-23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3,(H,24,25).
What are the key properties of N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline?
N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline has a molecular weight of 395.44 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylphenoxy)phosphoryl-2,4,6-trimethylaniline is sourced from PubChem (CID 19630519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).