2-[3-(4-aminophenyl)phenyl]acetaldehyde

C14H13NO — CID 89033641

IUPAC2-[3-(4-aminophenyl)phenyl]acetaldehyde
SMILESNc1ccc(-c2cccc(CC=O)c2)cc1
InChIInChI=1S/C14H13NO/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,9-10H,8,15H2
InChIKeyILBZCIAPZATHLZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.68
Rot. Bonds3

About 2-[3-(4-aminophenyl)phenyl]acetaldehyde

2-[3-(4-aminophenyl)phenyl]acetaldehyde (PubChem CID 89033641) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(4-aminophenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(4-aminophenyl)phenyl]acetaldehyde
PubChem CID89033641
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-[3-(4-aminophenyl)phenyl]acetaldehyde
SMILESNc1ccc(-c2cccc(CC=O)c2)cc1
InChIInChI=1S/C14H13NO/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,9-10H,8,15H2
InChIKeyILBZCIAPZATHLZ-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(4-aminophenyl)phenyl]acetaldehyde 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 2-[3-(4-aminophenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[3-(4-aminophenyl)phenyl]acetaldehyde (CID 89033641) is 2-[3-(4-aminophenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-(4-aminophenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-(4-aminophenyl)phenyl]acetaldehyde is Nc1ccc(-c2cccc(CC=O)c2)cc1.
What is the InChIKey of 2-[3-(4-aminophenyl)phenyl]acetaldehyde?
The InChIKey is ILBZCIAPZATHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-14-6-4-12(5-7-14)13-3-1-2-11(10-13)8-9-16/h1-7,9-10H,8,15H2.
What are the key properties of 2-[3-(4-aminophenyl)phenyl]acetaldehyde?
2-[3-(4-aminophenyl)phenyl]acetaldehyde has a molecular weight of 211.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenyl)phenyl]acetaldehyde is sourced from PubChem (CID 89033641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).