1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine

C22H20N2O — CID 126702625

IUPAC1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCOc1cccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C22H20N2O/c1-25-20-14-8-13-19(15-20)24-21(17-9-4-2-5-10-17)16-22(24)23-18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/b23-22+
InChIKeyHYYVFPXOOZJRTE-GHVJWSGMSA-N
MW328.42 g/mol
LogP5.38
Rot. Bonds4

About 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine

1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine (PubChem CID 126702625) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
PubChem CID126702625
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
SMILESCOc1cccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C22H20N2O/c1-25-20-14-8-13-19(15-20)24-21(17-9-4-2-5-10-17)16-22(24)23-18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/b23-22+
InChIKeyHYYVFPXOOZJRTE-GHVJWSGMSA-N
XLogP5.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The IUPAC name of 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine (CID 126702625) is 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine is COc1cccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
The InChIKey is HYYVFPXOOZJRTE-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-20-14-8-13-19(15-20)24-21(17-9-4-2-5-10-17)16-22(24)23-18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/b23-22+.
What are the key properties of 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine?
1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine has a molecular weight of 328.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine is sourced from PubChem (CID 126702625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).