1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide

C15H15ClN2O — CID 5221437

IUPAC1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide
SMILESCN(C)c1ccc([N+]([O-])=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-17(2)14-7-9-15(10-8-14)18(19)11-12-3-5-13(16)6-4-12/h3-11H,1-2H3
InChIKeyQSKJSYLACXXGDE-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide

1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide (PubChem CID 5221437) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide
PubChem CID5221437
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide
SMILESCN(C)c1ccc([N+]([O-])=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-17(2)14-7-9-15(10-8-14)18(19)11-12-3-5-13(16)6-4-12/h3-11H,1-2H3
InChIKeyQSKJSYLACXXGDE-UHFFFAOYSA-N
XLogP3.67
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
CID 72947617
N-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)methanimine oxide
CID 4548622
N,1-bis(4-methylphenyl)methanimine oxide
CID 85439147
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
N-(4-chlorophenyl)-1-pyrimidin-5-ylmethanimine oxide
CID 88776999
1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
CID 139603367
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
N-(4-methylphenyl)-1-(4-propan-2-ylphenyl)methanimine oxide
CID 164679804
3-[4-(dimethylamino)phenyl]-N-phenylprop-2-en-1-imine oxide;hydrochloride
CID 87519765
1-(4-chlorophenyl)-N-ethylmethanimine oxide
CID 15618879
N-(4-chlorophenyl)-1-(3-methyl-2-nitroimidazol-4-yl)methanimine oxide
CID 88831192
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 73186903

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide (CID 5221437) is 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide is CN(C)c1ccc([N+]([O-])=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide?
The InChIKey is QSKJSYLACXXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-17(2)14-7-9-15(10-8-14)18(19)11-12-3-5-13(16)6-4-12/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide?
1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide has a molecular weight of 274.75 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide is sourced from PubChem (CID 5221437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).