N-(diethoxyphosphorylmethyl)-1-phenylmethanimine

C12H18NO3P — CID 2773681

IUPACN-(diethoxyphosphorylmethyl)-1-phenylmethanimine
SMILESCCOP(=O)(CN=Cc1ccccc1)OCC
InChIInChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyREXOGTNRQYAOQG-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.33
Rot. Bonds7

About N-(diethoxyphosphorylmethyl)-1-phenylmethanimine

N-(diethoxyphosphorylmethyl)-1-phenylmethanimine (PubChem CID 2773681) has the molecular formula C12H18NO3P and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-1-phenylmethanimine
PubChem CID2773681
Molecular FormulaC12H18NO3P
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-(diethoxyphosphorylmethyl)-1-phenylmethanimine
SMILESCCOP(=O)(CN=Cc1ccccc1)OCC
InChIInChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyREXOGTNRQYAOQG-UHFFFAOYSA-N
XLogP3.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The IUPAC name of N-(diethoxyphosphorylmethyl)-1-phenylmethanimine (CID 2773681) is N-(diethoxyphosphorylmethyl)-1-phenylmethanimine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-1-phenylmethanimine is CCOP(=O)(CN=Cc1ccccc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
The InChIKey is REXOGTNRQYAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-1-phenylmethanimine?
N-(diethoxyphosphorylmethyl)-1-phenylmethanimine has a molecular weight of 255.25 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-1-phenylmethanimine is sourced from PubChem (CID 2773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).