4-(2,5-dichlorophenyl)iminobut-2-en-2-amine

C₁₀H₁₀Cl₂N₂ — CID 152790361

About 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine

4-(2,5-dichlorophenyl)iminobut-2-en-2-amine (PubChem CID 152790361) has the molecular formula C₁₀H₁₀Cl₂N₂ and a molecular weight of 229.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine.

Molecular Properties

• Compound Name: 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine
• PubChem CID: 152790361
• Molecular Formula: C₁₀H₁₀Cl₂N₂
• Molecular Weight: 229.11 g/mol
• Exact Mass: 228.02
• IUPAC Name: 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine
• SMILES: CC(N)=C/C=N/c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C10H10Cl2N2/c1-7(13)4-5-14-10-6-8(11)2-3-9(10)12/h2-6H,13H2,1H3/b7-4?,14-5+
• InChIKey: SFZQCKOZXCLZHY-FISATLKLSA-N
• XLogP: 3.56
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.11
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?

The IUPAC name of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine (CID 152790361) is 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine.

What is the SMILES notation for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?

The canonical SMILES for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine is CC(N)=C/C=N/c1cc(Cl)ccc1Cl.

What is the InChIKey of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?

The InChIKey is SFZQCKOZXCLZHY-FISATLKLSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-7(13)4-5-14-10-6-8(11)2-3-9(10)12/h2-6H,13H2,1H3/b7-4?,14-5+.

What are the key properties of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?

4-(2,5-dichlorophenyl)iminobut-2-en-2-amine has a molecular weight of 229.11 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine is sourced from PubChem (CID 152790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152790361 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.