N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine

C13H15FN2O — CID 157043786

IUPACN-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine
SMILESC=Nc1ccc(N2CC(F)C2)cc1C(=C)OC
InChIInChI=1S/C13H15FN2O/c1-9(17-3)12-6-11(4-5-13(12)15-2)16-7-10(14)8-16/h4-6,10H,1-2,7-8H2,3H3
InChIKeySUFQKCDULQZCAQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine

N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine (PubChem CID 157043786) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine
PubChem CID157043786
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine
SMILESC=Nc1ccc(N2CC(F)C2)cc1C(=C)OC
InChIInChI=1S/C13H15FN2O/c1-9(17-3)12-6-11(4-5-13(12)15-2)16-7-10(14)8-16/h4-6,10H,1-2,7-8H2,3H3
InChIKeySUFQKCDULQZCAQ-UHFFFAOYSA-N
XLogP2.79
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine 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 N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine?
The IUPAC name of N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine (CID 157043786) is N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine.
What is the SMILES notation for N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine?
The canonical SMILES for N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine is C=Nc1ccc(N2CC(F)C2)cc1C(=C)OC.
What is the InChIKey of N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine?
The InChIKey is SUFQKCDULQZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(17-3)12-6-11(4-5-13(12)15-2)16-7-10(14)8-16/h4-6,10H,1-2,7-8H2,3H3.
What are the key properties of N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine?
N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine has a molecular weight of 234.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine is sourced from PubChem (CID 157043786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).