2-N-(4-aminophenyl)benzene-1,2-diamine

C12H13N3 — CID 774866

IUPAC2-N-(4-aminophenyl)benzene-1,2-diamine
SMILESNc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2
InChIKeyDDLOISMWPUUWPL-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.59
Rot. Bonds2

About 2-N-(4-aminophenyl)benzene-1,2-diamine

2-N-(4-aminophenyl)benzene-1,2-diamine (PubChem CID 774866) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-aminophenyl)benzene-1,2-diamine
PubChem CID774866
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-N-(4-aminophenyl)benzene-1,2-diamine
SMILESNc1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2
InChIKeyDDLOISMWPUUWPL-UHFFFAOYSA-N
XLogP2.59
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-(4-aminophenyl)benzene-1,2-diamine 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-N-(4-aminophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-aminophenyl)benzene-1,2-diamine (CID 774866) is 2-N-(4-aminophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-aminophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-aminophenyl)benzene-1,2-diamine is Nc1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of 2-N-(4-aminophenyl)benzene-1,2-diamine?
The InChIKey is DDLOISMWPUUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2.
What are the key properties of 2-N-(4-aminophenyl)benzene-1,2-diamine?
2-N-(4-aminophenyl)benzene-1,2-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminophenyl)benzene-1,2-diamine is sourced from PubChem (CID 774866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).