N-benzyl-1-phenylmethanimine oxide

C14H13NO — CID 5368368

IUPACN-benzyl-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H13NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-
InChIKeyUBINNYMQZVKNFF-PTNGSMBKSA-N
MW211.26 g/mol
LogP2.82
Rot. Bonds3

About N-benzyl-1-phenylmethanimine oxide

N-benzyl-1-phenylmethanimine oxide (PubChem CID 5368368) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanimine oxide
PubChem CID5368368
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC NameN-benzyl-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H13NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-
InChIKeyUBINNYMQZVKNFF-PTNGSMBKSA-N
XLogP2.82
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.82
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-benzyl-1-phenylmethanimine oxide?
The IUPAC name of N-benzyl-1-phenylmethanimine oxide (CID 5368368) is N-benzyl-1-phenylmethanimine oxide.
What is the SMILES notation for N-benzyl-1-phenylmethanimine oxide?
The canonical SMILES for N-benzyl-1-phenylmethanimine oxide is [O-]/[N+](=C\c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenylmethanimine oxide?
The InChIKey is UBINNYMQZVKNFF-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H13NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-.
What are the key properties of N-benzyl-1-phenylmethanimine oxide?
N-benzyl-1-phenylmethanimine oxide has a molecular weight of 211.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanimine oxide is sourced from PubChem (CID 5368368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).