N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine

C10H14NO2P — CID 72608293

IUPACN-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
SMILESCON=C(C)c1ccccc1COP
InChIInChI=1S/C10H14NO2P/c1-8(11-12-2)10-6-4-3-5-9(10)7-13-14/h3-6H,7,14H2,1-2H3
InChIKeyYSKVNRZAFQYSEE-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.36
Rot. Bonds4

About N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine

N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine (PubChem CID 72608293) has the molecular formula C10H14NO2P and a molecular weight of 211.20 g/mol. Its IUPAC name is N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
PubChem CID72608293
Molecular FormulaC10H14NO2P
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC NameN-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
SMILESCON=C(C)c1ccccc1COP
InChIInChI=1S/C10H14NO2P/c1-8(11-12-2)10-6-4-3-5-9(10)7-13-14/h3-6H,7,14H2,1-2H3
InChIKeyYSKVNRZAFQYSEE-UHFFFAOYSA-N
XLogP2.36
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine 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-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine?
The IUPAC name of N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine (CID 72608293) is N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine.
What is the SMILES notation for N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine?
The canonical SMILES for N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine is CON=C(C)c1ccccc1COP.
What is the InChIKey of N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine?
The InChIKey is YSKVNRZAFQYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2P/c1-8(11-12-2)10-6-4-3-5-9(10)7-13-14/h3-6H,7,14H2,1-2H3.
What are the key properties of N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine?
N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine has a molecular weight of 211.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine is sourced from PubChem (CID 72608293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).