N-diethoxyphosphoryl-5-methoxy-2-phenylaniline

C17H22NO4P — CID 86305310

IUPACN-diethoxyphosphoryl-5-methoxy-2-phenylaniline
SMILESCCOP(=O)(Nc1cc(OC)ccc1-c1ccccc1)OCC
InChIInChI=1S/C17H22NO4P/c1-4-21-23(19,22-5-2)18-17-13-15(20-3)11-12-16(17)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,18,19)
InChIKeyYCCHYYJYZFOEBI-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.96
Rot. Bonds8

About N-diethoxyphosphoryl-5-methoxy-2-phenylaniline

N-diethoxyphosphoryl-5-methoxy-2-phenylaniline (PubChem CID 86305310) has the molecular formula C17H22NO4P and a molecular weight of 335.34 g/mol. Its IUPAC name is N-diethoxyphosphoryl-5-methoxy-2-phenylaniline.

Molecular Properties

Compound NameN-diethoxyphosphoryl-5-methoxy-2-phenylaniline
PubChem CID86305310
Molecular FormulaC17H22NO4P
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC NameN-diethoxyphosphoryl-5-methoxy-2-phenylaniline
SMILESCCOP(=O)(Nc1cc(OC)ccc1-c1ccccc1)OCC
InChIInChI=1S/C17H22NO4P/c1-4-21-23(19,22-5-2)18-17-13-15(20-3)11-12-16(17)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,18,19)
InChIKeyYCCHYYJYZFOEBI-UHFFFAOYSA-N
XLogP4.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-diethoxyphosphoryl-5-methoxy-2-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-diethoxyphosphoryl-5-methyl-2-phenylaniline
CID 86305405
ethoxy-(4-methoxy-2-phenylphenoxy)carbonylphosphinic acid
CID 150107385
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene
CID 102230338
(5-methoxy-2-phenylphenyl)silane
CID 137328723
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
2,4-dichloro-5-hydroxy-N-(5-methoxy-2-phenylphenyl)benzenesulfonamide
CID 90488956
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-5-methoxy-2-phenylaniline?
The IUPAC name of N-diethoxyphosphoryl-5-methoxy-2-phenylaniline (CID 86305310) is N-diethoxyphosphoryl-5-methoxy-2-phenylaniline.
What is the SMILES notation for N-diethoxyphosphoryl-5-methoxy-2-phenylaniline?
The canonical SMILES for N-diethoxyphosphoryl-5-methoxy-2-phenylaniline is CCOP(=O)(Nc1cc(OC)ccc1-c1ccccc1)OCC.
What is the InChIKey of N-diethoxyphosphoryl-5-methoxy-2-phenylaniline?
The InChIKey is YCCHYYJYZFOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO4P/c1-4-21-23(19,22-5-2)18-17-13-15(20-3)11-12-16(17)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-diethoxyphosphoryl-5-methoxy-2-phenylaniline?
N-diethoxyphosphoryl-5-methoxy-2-phenylaniline has a molecular weight of 335.34 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-5-methoxy-2-phenylaniline is sourced from PubChem (CID 86305310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).