(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine

C12H17ClNO3P — CID 13117188

IUPAC(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
SMILESCCOP(=O)(C/N=C/c1ccccc1Cl)OCC
InChIInChI=1S/C12H17ClNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-7-5-6-8-12(11)13/h5-9H,3-4,10H2,1-2H3/b14-9+
InChIKeyRZLMQCRFDZALJM-NTEUORMPSA-N
MW289.70 g/mol
LogP3.98
Rot. Bonds7

About (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine

(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine (PubChem CID 13117188) has the molecular formula C12H17ClNO3P and a molecular weight of 289.70 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
PubChem CID13117188
Molecular FormulaC12H17ClNO3P
Molecular Weight289.70 g/mol
Exact Mass289.06
IUPAC Name(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
SMILESCCOP(=O)(C/N=C/c1ccccc1Cl)OCC
InChIInChI=1S/C12H17ClNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-7-5-6-8-12(11)13/h5-9H,3-4,10H2,1-2H3/b14-9+
InChIKeyRZLMQCRFDZALJM-NTEUORMPSA-N
XLogP3.98
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.98
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 (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine 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

diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
CID 10048153
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
CID 173306298
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
CID 140788358
2,2,2-trichloro-1-[(2-chlorophenyl)-ethoxyphosphoryl]ethanol
CID 3788110
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
CID 59068903
2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
CID 173428303

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine?
The IUPAC name of (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine (CID 13117188) is (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine?
The canonical SMILES for (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine is CCOP(=O)(C/N=C/c1ccccc1Cl)OCC.
What is the InChIKey of (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine?
The InChIKey is RZLMQCRFDZALJM-NTEUORMPSA-N. The full InChI is InChI=1S/C12H17ClNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-7-5-6-8-12(11)13/h5-9H,3-4,10H2,1-2H3/b14-9+.
What are the key properties of (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine?
(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine has a molecular weight of 289.70 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine is sourced from PubChem (CID 13117188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).