N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine

C18H19ClN2O2 — CID 78766659

IUPACN-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccccc1CON=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-18-4-2-1-3-16(18)14-23-20-13-15-5-7-17(8-6-15)21-9-11-22-12-10-21/h1-8,13H,9-12,14H2
InChIKeyAHEATCMRFXUZSJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.73
Rot. Bonds5

About N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine

N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 78766659) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
PubChem CID78766659
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccccc1CON=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-18-4-2-1-3-16(18)14-23-20-13-15-5-7-17(8-6-15)21-9-11-22-12-10-21/h1-8,13H,9-12,14H2
InChIKeyAHEATCMRFXUZSJ-UHFFFAOYSA-N
XLogP3.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
CID 21233808
methyl 4-[(E)-(2-chlorophenyl)methoxyiminomethyl]benzoate
CID 6905476
N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78766726
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311
3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol
CID 10883544
2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-(2-phenylphenyl)acetamide
CID 78766512
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3459854
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405
2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
CID 26675986
N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide
CID 78766692
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
[4-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]piperazin-1-yl]methanedithiol
CID 58131343

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine (CID 78766659) is N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine is Clc1ccccc1CON=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is AHEATCMRFXUZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-18-4-2-1-3-16(18)14-23-20-13-15-5-7-17(8-6-15)21-9-11-22-12-10-21/h1-8,13H,9-12,14H2.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine?
N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 330.82 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 78766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).