3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine

C18H19FN2O — CID 102307793

IUPAC3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2C(OCC)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-2-22-18-16-6-4-3-5-15(16)17(20)21(18)12-11-13-7-9-14(19)10-8-13/h3-10,18,20H,2,11-12H2,1H3/b20-17+
InChIKeyGFBTYMBJPUUQKL-LVZFUZTISA-N
MW298.36 g/mol
LogP3.74
Rot. Bonds5

About 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine

3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine (PubChem CID 102307793) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine
PubChem CID102307793
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2C(OCC)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-2-22-18-16-6-4-3-5-15(16)17(20)21(18)12-11-13-7-9-14(19)10-8-13/h3-10,18,20H,2,11-12H2,1H3/b20-17+
InChIKeyGFBTYMBJPUUQKL-LVZFUZTISA-N
XLogP3.74
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-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 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine?
The IUPAC name of 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine (CID 102307793) is 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine.
What is the SMILES notation for 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine?
The canonical SMILES for 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2C(OCC)N1CCc1ccc(F)cc1.
What is the InChIKey of 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine?
The InChIKey is GFBTYMBJPUUQKL-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-22-18-16-6-4-3-5-15(16)17(20)21(18)12-11-13-7-9-14(19)10-8-13/h3-10,18,20H,2,11-12H2,1H3/b20-17+.
What are the key properties of 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine?
3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine has a molecular weight of 298.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[2-(4-fluorophenyl)ethyl]-3H-isoindol-1-imine is sourced from PubChem (CID 102307793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).