N,1-bis(4-methylphenyl)methanimine oxide

C15H15NO — CID 85439147

IUPACN,1-bis(4-methylphenyl)methanimine oxide
SMILESCc1ccc(C=[N+]([O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO/c1-12-3-7-14(8-4-12)11-16(17)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyONRVQJWGKGJJRN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.56
Rot. Bonds2

About N,1-bis(4-methylphenyl)methanimine oxide

N,1-bis(4-methylphenyl)methanimine oxide (PubChem CID 85439147) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N,1-bis(4-methylphenyl)methanimine oxide.

Molecular Properties

Compound NameN,1-bis(4-methylphenyl)methanimine oxide
PubChem CID85439147
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN,1-bis(4-methylphenyl)methanimine oxide
SMILESCc1ccc(C=[N+]([O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NO/c1-12-3-7-14(8-4-12)11-16(17)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyONRVQJWGKGJJRN-UHFFFAOYSA-N
XLogP3.56
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-methylphenyl)methanimine oxide?
The IUPAC name of N,1-bis(4-methylphenyl)methanimine oxide (CID 85439147) is N,1-bis(4-methylphenyl)methanimine oxide.
What is the SMILES notation for N,1-bis(4-methylphenyl)methanimine oxide?
The canonical SMILES for N,1-bis(4-methylphenyl)methanimine oxide is Cc1ccc(C=[N+]([O-])c2ccc(C)cc2)cc1.
What is the InChIKey of N,1-bis(4-methylphenyl)methanimine oxide?
The InChIKey is ONRVQJWGKGJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-3-7-14(8-4-12)11-16(17)15-9-5-13(2)6-10-15/h3-11H,1-2H3.
What are the key properties of N,1-bis(4-methylphenyl)methanimine oxide?
N,1-bis(4-methylphenyl)methanimine oxide has a molecular weight of 225.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-methylphenyl)methanimine oxide is sourced from PubChem (CID 85439147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).