N-[ethoxy(phenyl)phosphoryl]aniline

C14H16NO2P — CID 3060452

IUPACN-[ethoxy(phenyl)phosphoryl]aniline
SMILESCCOP(=O)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO2P/c1-2-17-18(16,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,15,16)
InChIKeySWMWBECAEDVEDX-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.65
Rot. Bonds5

About N-[ethoxy(phenyl)phosphoryl]aniline

N-[ethoxy(phenyl)phosphoryl]aniline (PubChem CID 3060452) has the molecular formula C14H16NO2P and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[ethoxy(phenyl)phosphoryl]aniline.

Molecular Properties

Compound NameN-[ethoxy(phenyl)phosphoryl]aniline
PubChem CID3060452
Molecular FormulaC14H16NO2P
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[ethoxy(phenyl)phosphoryl]aniline
SMILESCCOP(=O)(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO2P/c1-2-17-18(16,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,15,16)
InChIKeySWMWBECAEDVEDX-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[ethoxy(phenyl)phosphoryl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(phenyl)phosphoryl]aniline?
The IUPAC name of N-[ethoxy(phenyl)phosphoryl]aniline (CID 3060452) is N-[ethoxy(phenyl)phosphoryl]aniline.
What is the SMILES notation for N-[ethoxy(phenyl)phosphoryl]aniline?
The canonical SMILES for N-[ethoxy(phenyl)phosphoryl]aniline is CCOP(=O)(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[ethoxy(phenyl)phosphoryl]aniline?
The InChIKey is SWMWBECAEDVEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2P/c1-2-17-18(16,14-11-7-4-8-12-14)15-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,15,16).
What are the key properties of N-[ethoxy(phenyl)phosphoryl]aniline?
N-[ethoxy(phenyl)phosphoryl]aniline has a molecular weight of 261.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(phenyl)phosphoryl]aniline is sourced from PubChem (CID 3060452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).