1-phenyl-N-phenylmethoxymethanimine

C14H13NO — CID 561973

IUPAC1-phenyl-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyCVBQDSHWPRCDRQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.24
Rot. Bonds4

About 1-phenyl-N-phenylmethoxymethanimine

1-phenyl-N-phenylmethoxymethanimine (PubChem CID 561973) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-phenyl-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-phenyl-N-phenylmethoxymethanimine
PubChem CID561973
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-phenyl-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyCVBQDSHWPRCDRQ-UHFFFAOYSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-phenylmethoxymethanimine?
The IUPAC name of 1-phenyl-N-phenylmethoxymethanimine (CID 561973) is 1-phenyl-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-phenyl-N-phenylmethoxymethanimine?
The canonical SMILES for 1-phenyl-N-phenylmethoxymethanimine is C(=NOCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-phenylmethoxymethanimine?
The InChIKey is CVBQDSHWPRCDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 1-phenyl-N-phenylmethoxymethanimine?
1-phenyl-N-phenylmethoxymethanimine has a molecular weight of 211.26 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-phenylmethoxymethanimine is sourced from PubChem (CID 561973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).