4-(4-aminophenyl)benzaldehyde

C13H11NO — CID 1393544

IUPAC4-(4-aminophenyl)benzaldehyde
SMILESNc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C13H11NO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H,14H2
InChIKeySZTPINUGWKQNII-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-aminophenyl)benzaldehyde

4-(4-aminophenyl)benzaldehyde (PubChem CID 1393544) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-aminophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-aminophenyl)benzaldehyde
PubChem CID1393544
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-(4-aminophenyl)benzaldehyde
SMILESNc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C13H11NO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H,14H2
InChIKeySZTPINUGWKQNII-UHFFFAOYSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)benzaldehyde?
The IUPAC name of 4-(4-aminophenyl)benzaldehyde (CID 1393544) is 4-(4-aminophenyl)benzaldehyde.
What is the SMILES notation for 4-(4-aminophenyl)benzaldehyde?
The canonical SMILES for 4-(4-aminophenyl)benzaldehyde is Nc1ccc(-c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)benzaldehyde?
The InChIKey is SZTPINUGWKQNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H,14H2.
What are the key properties of 4-(4-aminophenyl)benzaldehyde?
4-(4-aminophenyl)benzaldehyde has a molecular weight of 197.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)benzaldehyde is sourced from PubChem (CID 1393544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).