1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine

C15H14N2O — CID 164668240

IUPAC1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine
SMILESCN1/C(=N/c2ccccc2)OCc2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-14-10-6-5-7-12(14)11-18-15(17)16-13-8-3-2-4-9-13/h2-10H,11H2,1H3/b16-15-
InChIKeyMIRPRJFDMHCDOI-NXVVXOECSA-N
MW238.29 g/mol
LogP3.34
Rot. Bonds1

About 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine

1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine (PubChem CID 164668240) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine.

Molecular Properties

Compound Name1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine
PubChem CID164668240
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine
SMILESCN1/C(=N/c2ccccc2)OCc2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-14-10-6-5-7-12(14)11-18-15(17)16-13-8-3-2-4-9-13/h2-10H,11H2,1H3/b16-15-
InChIKeyMIRPRJFDMHCDOI-NXVVXOECSA-N
XLogP3.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine?
The IUPAC name of 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine (CID 164668240) is 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine.
What is the SMILES notation for 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine?
The canonical SMILES for 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine is CN1/C(=N/c2ccccc2)OCc2ccccc21.
What is the InChIKey of 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine?
The InChIKey is MIRPRJFDMHCDOI-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-14-10-6-5-7-12(14)11-18-15(17)16-13-8-3-2-4-9-13/h2-10H,11H2,1H3/b16-15-.
What are the key properties of 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine?
1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine has a molecular weight of 238.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine is sourced from PubChem (CID 164668240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).