N-bis(4-methylphenoxy)phosphoryl-3-methylaniline

C21H22NO3P — CID 2305384

IUPACN-bis(4-methylphenoxy)phosphoryl-3-methylaniline
SMILESCc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22NO3P/c1-16-7-11-20(12-8-16)24-26(23,22-19-6-4-5-18(3)15-19)25-21-13-9-17(2)10-14-21/h4-15H,1-3H3,(H,22,23)
InChIKeyFCGBDIFLQYBBHM-UHFFFAOYSA-N
MW367.39 g/mol
LogP6.29
Rot. Bonds6

About N-bis(4-methylphenoxy)phosphoryl-3-methylaniline

N-bis(4-methylphenoxy)phosphoryl-3-methylaniline (PubChem CID 2305384) has the molecular formula C21H22NO3P and a molecular weight of 367.39 g/mol. Its IUPAC name is N-bis(4-methylphenoxy)phosphoryl-3-methylaniline.

Molecular Properties

Compound NameN-bis(4-methylphenoxy)phosphoryl-3-methylaniline
PubChem CID2305384
Molecular FormulaC21H22NO3P
Molecular Weight367.39 g/mol
Exact Mass367.13
IUPAC NameN-bis(4-methylphenoxy)phosphoryl-3-methylaniline
SMILESCc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H22NO3P/c1-16-7-11-20(12-8-16)24-26(23,22-19-6-4-5-18(3)15-19)25-21-13-9-17(2)10-14-21/h4-15H,1-3H3,(H,22,23)
InChIKeyFCGBDIFLQYBBHM-UHFFFAOYSA-N
XLogP6.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.39
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
3,5-dimethylphenyl N-(2,4-dimethylphenyl)-P-methylphosphonamidoate
CID 752258
N-bis(2-fluorophenoxy)phosphoryl-2-methylaniline
CID 1618088
Bis(2-fluorophenyl) (2,3-dimethylphenyl)phosphoramidate
CID 1858616
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
CID 1912719
Bis(3-methylphenyl) (4-fluorophenyl)amidophosphate
CID 2067177
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
CID 2244588
4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
CID 2305212
Bis(4-methylphenyl) 1-phenylethylamidophosphate
CID 3105326
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
N-bis(phenylmethoxy)phosphorylaniline
CID 275754

Frequently Asked Questions

What is the IUPAC name of N-bis(4-methylphenoxy)phosphoryl-3-methylaniline?
The IUPAC name of N-bis(4-methylphenoxy)phosphoryl-3-methylaniline (CID 2305384) is N-bis(4-methylphenoxy)phosphoryl-3-methylaniline.
What is the SMILES notation for N-bis(4-methylphenoxy)phosphoryl-3-methylaniline?
The canonical SMILES for N-bis(4-methylphenoxy)phosphoryl-3-methylaniline is Cc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-bis(4-methylphenoxy)phosphoryl-3-methylaniline?
The InChIKey is FCGBDIFLQYBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO3P/c1-16-7-11-20(12-8-16)24-26(23,22-19-6-4-5-18(3)15-19)25-21-13-9-17(2)10-14-21/h4-15H,1-3H3,(H,22,23).
What are the key properties of N-bis(4-methylphenoxy)phosphoryl-3-methylaniline?
N-bis(4-methylphenoxy)phosphoryl-3-methylaniline has a molecular weight of 367.39 g/mol, XLogP of 6.29, 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-3-methylaniline is sourced from PubChem (CID 2305384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).