N-benzhydryl-1-(4-methylphenyl)methanimine oxide

C21H19NO — CID 13039811

IUPACN-benzhydryl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-17-12-14-18(15-13-17)16-22(23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,21H,1H3/b22-16-
InChIKeyLAJSZISIHBISLM-JWGURIENSA-N
MW301.39 g/mol
LogP4.71
Rot. Bonds4

About N-benzhydryl-1-(4-methylphenyl)methanimine oxide

N-benzhydryl-1-(4-methylphenyl)methanimine oxide (PubChem CID 13039811) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-benzhydryl-1-(4-methylphenyl)methanimine oxide.

Molecular Properties

Compound NameN-benzhydryl-1-(4-methylphenyl)methanimine oxide
PubChem CID13039811
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-benzhydryl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-17-12-14-18(15-13-17)16-22(23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,21H,1H3/b22-16-
InChIKeyLAJSZISIHBISLM-JWGURIENSA-N
XLogP4.71
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.71
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

Hydrobenzamide
CID 9566477
Methanediamine, 1-phenyl-N,N'-bis(phenylmethylene)-, (E,E)-
CID 66704
(Z)-benzyl(oxido)(phenylmethylidene)azanium
CID 5368368
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892271
(1R,2S,N1Z,N2Z)-N1,N2-dibenzylidenecyclohexane-1,2-diamine dioxide
CID 1899031
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 5466983
N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
CID 24892272

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(4-methylphenyl)methanimine oxide?
The IUPAC name of N-benzhydryl-1-(4-methylphenyl)methanimine oxide (CID 13039811) is N-benzhydryl-1-(4-methylphenyl)methanimine oxide.
What is the SMILES notation for N-benzhydryl-1-(4-methylphenyl)methanimine oxide?
The canonical SMILES for N-benzhydryl-1-(4-methylphenyl)methanimine oxide is Cc1ccc(/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1-(4-methylphenyl)methanimine oxide?
The InChIKey is LAJSZISIHBISLM-JWGURIENSA-N. The full InChI is InChI=1S/C21H19NO/c1-17-12-14-18(15-13-17)16-22(23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,21H,1H3/b22-16-.
What are the key properties of N-benzhydryl-1-(4-methylphenyl)methanimine oxide?
N-benzhydryl-1-(4-methylphenyl)methanimine oxide has a molecular weight of 301.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-methylphenyl)methanimine oxide is sourced from PubChem (CID 13039811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).