4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline

C20H21N2O2P — CID 2305212

IUPAC4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
SMILESCc1ccc(NP(=O)(Nc2ccc(C)cc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N2O2P/c1-16-8-12-18(13-9-16)21-25(23,24-20-6-4-3-5-7-20)22-19-14-10-17(2)11-15-19/h3-15H,1-2H3,(H2,21,22,23)
InChIKeyRHQBGWSPPAKUGZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP6.01
Rot. Bonds6

About 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline

4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline (PubChem CID 2305212) has the molecular formula C20H21N2O2P and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
PubChem CID2305212
Molecular FormulaC20H21N2O2P
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
SMILESCc1ccc(NP(=O)(Nc2ccc(C)cc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H21N2O2P/c1-16-8-12-18(13-9-16)21-25(23,24-20-6-4-3-5-7-20)22-19-14-10-17(2)11-15-19/h3-15H,1-2H3,(H2,21,22,23)
InChIKeyRHQBGWSPPAKUGZ-UHFFFAOYSA-N
XLogP6.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol
CID 129137266
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 129137285
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
Phosphoramidochloridic acid, N-phenyl-, phenyl ester
CID 103959
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
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline?
The IUPAC name of 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline (CID 2305212) is 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline.
What is the SMILES notation for 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline?
The canonical SMILES for 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline is Cc1ccc(NP(=O)(Nc2ccc(C)cc2)Oc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline?
The InChIKey is RHQBGWSPPAKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O2P/c1-16-8-12-18(13-9-16)21-25(23,24-20-6-4-3-5-7-20)22-19-14-10-17(2)11-15-19/h3-15H,1-2H3,(H2,21,22,23).
What are the key properties of 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline?
4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline has a molecular weight of 352.37 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline is sourced from PubChem (CID 2305212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).