4-[2-(4-aminophenyl)ethynyl]aniline

C14H12N2 — CID 1488786

IUPAC4-[2-(4-aminophenyl)ethynyl]aniline
SMILESNc1ccc(C#Cc2ccc(N)cc2)cc1
InChIInChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
InChIKeyWAUKJWLKPXRNKT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.25
Rot. Bonds

About 4-[2-(4-aminophenyl)ethynyl]aniline

4-[2-(4-aminophenyl)ethynyl]aniline (PubChem CID 1488786) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethynyl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethynyl]aniline
PubChem CID1488786
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-[2-(4-aminophenyl)ethynyl]aniline
SMILESNc1ccc(C#Cc2ccc(N)cc2)cc1
InChIInChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
InChIKeyWAUKJWLKPXRNKT-UHFFFAOYSA-N
XLogP2.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-aminophenyl)ethynyl]aniline 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-[2-(4-aminophenyl)ethynyl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)ethynyl]aniline (CID 1488786) is 4-[2-(4-aminophenyl)ethynyl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethynyl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)ethynyl]aniline is Nc1ccc(C#Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethynyl]aniline?
The InChIKey is WAUKJWLKPXRNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2.
What are the key properties of 4-[2-(4-aminophenyl)ethynyl]aniline?
4-[2-(4-aminophenyl)ethynyl]aniline has a molecular weight of 208.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethynyl]aniline is sourced from PubChem (CID 1488786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).