1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide

C15H14ClNO — CID 88775313

IUPAC1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide
SMILESCc1cc(Cl)ccc1C=[N+]([O-])c1ccccc1C
InChIInChI=1S/C15H14ClNO/c1-11-5-3-4-6-15(11)17(18)10-13-7-8-14(16)9-12(13)2/h3-10H,1-2H3
InChIKeyRMGZCYZORQCXJP-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide

1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide (PubChem CID 88775313) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide
PubChem CID88775313
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide
SMILESCc1cc(Cl)ccc1C=[N+]([O-])c1ccccc1C
InChIInChI=1S/C15H14ClNO/c1-11-5-3-4-6-15(11)17(18)10-13-7-8-14(16)9-12(13)2/h3-10H,1-2H3
InChIKeyRMGZCYZORQCXJP-UHFFFAOYSA-N
XLogP4.22
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-Chlorobenzylidene)aniline
CID 238776
N-(4-Chlorobenzylidene)-p-toluidine
CID 525683
Benzaldehyde-4-chlorophenylnitrone
CID 275545
Rmi 81,582
CID 6441602
N-(4-Chlorobenzylidene)-M-toluidine
CID 525680
1-Naphthalenamine, N-[(4-chlorophenyl)methylene]-
CID 967393
N-(3,4-Dichlorobenzylidene)aniline
CID 5122786
N-(4-Chlorobenzylidene)-O-toluidine
CID 3283907
(4-Chlorophenyl)(4-fluorobenzylidene)azane oxide
CID 869589
Nitrone, N-(p-chlorophenyl)-alpha-phenyl-
CID 5371523
p-Chlorobenzylidene-(4-nitrophenyl)-amine
CID 219486
(4-Chlorobenzylidene)(phenyl)azane oxide
CID 736566

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide (CID 88775313) is 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide is Cc1cc(Cl)ccc1C=[N+]([O-])c1ccccc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide?
The InChIKey is RMGZCYZORQCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-5-3-4-6-15(11)17(18)10-13-7-8-14(16)9-12(13)2/h3-10H,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide?
1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide has a molecular weight of 259.74 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-(2-methylphenyl)methanimine oxide is sourced from PubChem (CID 88775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).