1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine

C23H20N2O2 — CID 126702623

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
SMILESc1ccc(/N=C2\CC(c3ccccc3)N2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)20-16-23(24-18-9-5-2-6-10-18)25(20)19-11-12-21-22(15-19)27-14-13-26-21/h1-12,15,20H,13-14,16H2/b24-23+
InChIKeyCOEXOSVXBILGIF-WCWDXBQESA-N
MW356.43 g/mol
LogP5.14
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine (PubChem CID 126702623) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
PubChem CID126702623
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
SMILESc1ccc(/N=C2\CC(c3ccccc3)N2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)20-16-23(24-18-9-5-2-6-10-18)25(20)19-11-12-21-22(15-19)27-14-13-26-21/h1-12,15,20H,13-14,16H2/b24-23+
InChIKeyCOEXOSVXBILGIF-WCWDXBQESA-N
XLogP5.14
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine (CID 126702623) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine is c1ccc(/N=C2\CC(c3ccccc3)N2c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine?
The InChIKey is COEXOSVXBILGIF-WCWDXBQESA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)20-16-23(24-18-9-5-2-6-10-18)25(20)19-11-12-21-22(15-19)27-14-13-26-21/h1-12,15,20H,13-14,16H2/b24-23+.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine has a molecular weight of 356.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine is sourced from PubChem (CID 126702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).