4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde

C15H14N2O — CID 174691649

IUPAC4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde
SMILESNc1ccc(-c2cccc3c2CNC3C=O)cc1
InChIInChI=1S/C15H14N2O/c16-11-6-4-10(5-7-11)12-2-1-3-13-14(12)8-17-15(13)9-18/h1-7,9,15,17H,8,16H2
InChIKeyVKRVZAGWFYDTMA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde

4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde (PubChem CID 174691649) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde
PubChem CID174691649
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde
SMILESNc1ccc(-c2cccc3c2CNC3C=O)cc1
InChIInChI=1S/C15H14N2O/c16-11-6-4-10(5-7-11)12-2-1-3-13-14(12)8-17-15(13)9-18/h1-7,9,15,17H,8,16H2
InChIKeyVKRVZAGWFYDTMA-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde 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 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde?
The IUPAC name of 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde (CID 174691649) is 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde?
The canonical SMILES for 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde is Nc1ccc(-c2cccc3c2CNC3C=O)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde?
The InChIKey is VKRVZAGWFYDTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-11-6-4-10(5-7-11)12-2-1-3-13-14(12)8-17-15(13)9-18/h1-7,9,15,17H,8,16H2.
What are the key properties of 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde?
4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde has a molecular weight of 238.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-dihydro-1H-isoindole-1-carbaldehyde is sourced from PubChem (CID 174691649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).