2-amino-5-anilinobenzaldehyde

C13H12N2O — CID 154532798

IUPAC2-amino-5-anilinobenzaldehyde
SMILESNc1ccc(Nc2ccccc2)cc1C=O
InChIInChI=1S/C13H12N2O/c14-13-7-6-12(8-10(13)9-16)15-11-4-2-1-3-5-11/h1-9,15H,14H2
InChIKeyDHWHHWOQYREBHO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-5-anilinobenzaldehyde

2-amino-5-anilinobenzaldehyde (PubChem CID 154532798) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-5-anilinobenzaldehyde.

Molecular Properties

Compound Name2-amino-5-anilinobenzaldehyde
PubChem CID154532798
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-amino-5-anilinobenzaldehyde
SMILESNc1ccc(Nc2ccccc2)cc1C=O
InChIInChI=1S/C13H12N2O/c14-13-7-6-12(8-10(13)9-16)15-11-4-2-1-3-5-11/h1-9,15H,14H2
InChIKeyDHWHHWOQYREBHO-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.82
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 2-amino-5-anilinobenzaldehyde 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-amino-5-anilinobenzaldehyde?
The IUPAC name of 2-amino-5-anilinobenzaldehyde (CID 154532798) is 2-amino-5-anilinobenzaldehyde.
What is the SMILES notation for 2-amino-5-anilinobenzaldehyde?
The canonical SMILES for 2-amino-5-anilinobenzaldehyde is Nc1ccc(Nc2ccccc2)cc1C=O.
What is the InChIKey of 2-amino-5-anilinobenzaldehyde?
The InChIKey is DHWHHWOQYREBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-7-6-12(8-10(13)9-16)15-11-4-2-1-3-5-11/h1-9,15H,14H2.
What are the key properties of 2-amino-5-anilinobenzaldehyde?
2-amino-5-anilinobenzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-anilinobenzaldehyde is sourced from PubChem (CID 154532798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).