1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine

C11H12Cl2N2O — CID 23791709

IUPAC1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
SMILESClc1ccc(C=NN2CCOCC2)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)8-14-15-3-5-16-6-4-15/h1-2,7-8H,3-6H2
InChIKeyFQOBBQOBTVVBDQ-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.66
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine

1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine (PubChem CID 23791709) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
PubChem CID23791709
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
SMILESClc1ccc(C=NN2CCOCC2)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)8-14-15-3-5-16-6-4-15/h1-2,7-8H,3-6H2
InChIKeyFQOBBQOBTVVBDQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-morpholin-4-yliminomethyl]benzene-1,2-diol
CID 135964584
(E)-1-(3,4-dichlorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
CID 6867718
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
(Z)-1-(3,4-dichlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]methanimine
CID 6108687
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135842388
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-(4-morpholin-4-ylphenyl)methanimine
CID 9058568
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126139532
(E)-N-morpholin-4-yl-1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methanimine
CID 6904910
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411374
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine (CID 23791709) is 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine is Clc1ccc(C=NN2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine?
The InChIKey is FQOBBQOBTVVBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-10-2-1-9(7-11(10)13)8-14-15-3-5-16-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine?
1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine has a molecular weight of 259.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 23791709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).