N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine

C18H22NO3P — CID 14519608

IUPACN-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine
SMILESCCOP(=O)(Cc1ccc(/N=C/c2ccccc2)cc1)OCC
InChIInChI=1S/C18H22NO3P/c1-3-21-23(20,22-4-2)15-17-10-12-18(13-11-17)19-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3/b19-14+
InChIKeyZMHWBBHIHAWOEA-XMHGGMMESA-N
MW331.35 g/mol
LogP5.20
Rot. Bonds8

About N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine

N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine (PubChem CID 14519608) has the molecular formula C18H22NO3P and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine
PubChem CID14519608
Molecular FormulaC18H22NO3P
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine
SMILESCCOP(=O)(Cc1ccc(/N=C/c2ccccc2)cc1)OCC
InChIInChI=1S/C18H22NO3P/c1-3-21-23(20,22-4-2)15-17-10-12-18(13-11-17)19-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3/b19-14+
InChIKeyZMHWBBHIHAWOEA-XMHGGMMESA-N
XLogP5.20
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine 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-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine (CID 14519608) is N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine is CCOP(=O)(Cc1ccc(/N=C/c2ccccc2)cc1)OCC.
What is the InChIKey of N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine?
The InChIKey is ZMHWBBHIHAWOEA-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22NO3P/c1-3-21-23(20,22-4-2)15-17-10-12-18(13-11-17)19-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3/b19-14+.
What are the key properties of N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine?
N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine has a molecular weight of 331.35 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethoxyphosphorylmethyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 14519608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).