N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline

C19H19N2O3P — CID 4061917

IUPACN-[anilino-(4-methoxyphenoxy)phosphoryl]aniline
SMILESCOc1ccc(OP(=O)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N2O3P/c1-23-18-12-14-19(15-13-18)24-25(22,20-16-8-4-2-5-9-16)21-17-10-6-3-7-11-17/h2-15H,1H3,(H2,20,21,22)
InChIKeyXYFQZPNTBUZGGN-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.41
Rot. Bonds7

About N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline

N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline (PubChem CID 4061917) has the molecular formula C19H19N2O3P and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline.

Molecular Properties

Compound NameN-[anilino-(4-methoxyphenoxy)phosphoryl]aniline
PubChem CID4061917
Molecular FormulaC19H19N2O3P
Molecular Weight354.35 g/mol
Exact Mass354.11
IUPAC NameN-[anilino-(4-methoxyphenoxy)phosphoryl]aniline
SMILESCOc1ccc(OP(=O)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N2O3P/c1-23-18-12-14-19(15-13-18)24-25(22,20-16-8-4-2-5-9-16)21-17-10-6-3-7-11-17/h2-15H,1H3,(H2,20,21,22)
InChIKeyXYFQZPNTBUZGGN-UHFFFAOYSA-N
XLogP5.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.41
H-Bond Donors ≤ 52
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
1,4-Bis(4-aminophenoxy)benzene
CID 19012
Methylphosphonoamidate, o-(2-methoxyphenyl)-N-phenyl-
CID 624025
N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
CID 2305211
4-bromo-N-[(4-methoxyphenoxy)-methylphosphoryl]aniline
CID 2306483
N-bis(3-methoxyphenoxy)phosphorylaniline
CID 1588119
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
Phenol, p-amino-, phosphate (3:1) (ester)
CID 199470
Phosphonamidic acid, N,P-diphenyl-, phenyl ester
CID 3044786
3-Diphenoxyphosphorylaniline
CID 44373237
Diphenyl (2-propoxyphenyl)phosphoramidate
CID 1912073

Frequently Asked Questions

What is the IUPAC name of N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline?
The IUPAC name of N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline (CID 4061917) is N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline.
What is the SMILES notation for N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline?
The canonical SMILES for N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline is COc1ccc(OP(=O)(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline?
The InChIKey is XYFQZPNTBUZGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O3P/c1-23-18-12-14-19(15-13-18)24-25(22,20-16-8-4-2-5-9-16)21-17-10-6-3-7-11-17/h2-15H,1H3,(H2,20,21,22).
What are the key properties of N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline?
N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline has a molecular weight of 354.35 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino-(4-methoxyphenoxy)phosphoryl]aniline is sourced from PubChem (CID 4061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).