1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine

C23H22N2O — CID 126702629

IUPAC1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-2-26-21-15-13-20(14-16-21)25-22(18-9-5-3-6-10-18)17-23(25)24-19-11-7-4-8-12-19/h3-16,22H,2,17H2,1H3/b24-23+
InChIKeyGEXVRADCLLEROT-WCWDXBQESA-N
MW342.44 g/mol
LogP5.77
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine

1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine (PubChem CID 126702629) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
PubChem CID126702629
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-2-26-21-15-13-20(14-16-21)25-22(18-9-5-3-6-10-18)17-23(25)24-19-11-7-4-8-12-19/h3-16,22H,2,17H2,1H3/b24-23+
InChIKeyGEXVRADCLLEROT-WCWDXBQESA-N
XLogP5.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.77
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-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine (CID 126702629) is 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine is CCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine?
The InChIKey is GEXVRADCLLEROT-WCWDXBQESA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-26-21-15-13-20(14-16-21)25-22(18-9-5-3-6-10-18)17-23(25)24-19-11-7-4-8-12-19/h3-16,22H,2,17H2,1H3/b24-23+.
What are the key properties of 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine?
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine has a molecular weight of 342.44 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine is sourced from PubChem (CID 126702629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).