N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline

C20H20NO3P — CID 15396710

IUPACN-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline
SMILESCN(c1ccccc1)P(=O)(OCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20NO3P/c1-21(19-13-7-3-8-14-19)25(22,24-20-15-9-4-10-16-20)23-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyOFYCJZZNPVZHBY-UHFFFAOYSA-N
MW353.36 g/mol
LogP5.53
Rot. Bonds7

About N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline

N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline (PubChem CID 15396710) has the molecular formula C20H20NO3P and a molecular weight of 353.36 g/mol. Its IUPAC name is N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline.

Molecular Properties

Compound NameN-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline
PubChem CID15396710
Molecular FormulaC20H20NO3P
Molecular Weight353.36 g/mol
Exact Mass353.12
IUPAC NameN-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline
SMILESCN(c1ccccc1)P(=O)(OCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20NO3P/c1-21(19-13-7-3-8-14-19)25(22,24-20-15-9-4-10-16-20)23-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyOFYCJZZNPVZHBY-UHFFFAOYSA-N
XLogP5.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl phenyl phosphono phosphate
CID 150753839
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid
CID 158628766
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
dibenzyl hydrogen phosphate;silver
CID 85301331
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine
CID 23413425

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline?
The IUPAC name of N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline (CID 15396710) is N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline.
What is the SMILES notation for N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline?
The canonical SMILES for N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline is CN(c1ccccc1)P(=O)(OCc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline?
The InChIKey is OFYCJZZNPVZHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO3P/c1-21(19-13-7-3-8-14-19)25(22,24-20-15-9-4-10-16-20)23-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3.
What are the key properties of N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline?
N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline has a molecular weight of 353.36 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenoxy(phenylmethoxy)phosphoryl]aniline is sourced from PubChem (CID 15396710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).