1,1-dimethoxy-N-phenylmethanimine

C9H11NO2 — CID 596636

IUPAC1,1-dimethoxy-N-phenylmethanimine
SMILESCOC(=Nc1ccccc1)OC
InChIInChI=1S/C9H11NO2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXYGIRQSIIUSSLD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.97
Rot. Bonds1

About 1,1-dimethoxy-N-phenylmethanimine

1,1-dimethoxy-N-phenylmethanimine (PubChem CID 596636) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,1-dimethoxy-N-phenylmethanimine.

Molecular Properties

Compound Name1,1-dimethoxy-N-phenylmethanimine
PubChem CID596636
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,1-dimethoxy-N-phenylmethanimine
SMILESCOC(=Nc1ccccc1)OC
InChIInChI=1S/C9H11NO2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXYGIRQSIIUSSLD-UHFFFAOYSA-N
XLogP1.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-phenylmethanimine?
The IUPAC name of 1,1-dimethoxy-N-phenylmethanimine (CID 596636) is 1,1-dimethoxy-N-phenylmethanimine.
What is the SMILES notation for 1,1-dimethoxy-N-phenylmethanimine?
The canonical SMILES for 1,1-dimethoxy-N-phenylmethanimine is COC(=Nc1ccccc1)OC.
What is the InChIKey of 1,1-dimethoxy-N-phenylmethanimine?
The InChIKey is XYGIRQSIIUSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-dimethoxy-N-phenylmethanimine?
1,1-dimethoxy-N-phenylmethanimine has a molecular weight of 165.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-phenylmethanimine is sourced from PubChem (CID 596636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).