2-[4-(dimethylamino)phenyl]-2-methylbutanal

C₁₃H₁₉NO — CID 24822543

About 2-[4-(dimethylamino)phenyl]-2-methylbutanal

2-[4-(dimethylamino)phenyl]-2-methylbutanal (PubChem CID 24822543) has the molecular formula C₁₃H₁₉NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-methylbutanal.

Molecular Properties

• Compound Name: 2-[4-(dimethylamino)phenyl]-2-methylbutanal
• PubChem CID: 24822543
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: 205.30 g/mol
• Exact Mass: 205.15
• IUPAC Name: 2-[4-(dimethylamino)phenyl]-2-methylbutanal
• SMILES: CCC(C)(C=O)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C13H19NO/c1-5-13(2,10-15)11-6-8-12(9-7-11)14(3)4/h6-10H,5H2,1-4H3
• InChIKey: GLSZOKBXZZIVQF-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.30
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?

The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylbutanal (CID 24822543) is 2-[4-(dimethylamino)phenyl]-2-methylbutanal.

What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-methylbutanal?

The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-methylbutanal is CCC(C)(C=O)c1ccc(N(C)C)cc1.

What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?

The InChIKey is GLSZOKBXZZIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(2,10-15)11-6-8-12(9-7-11)14(3)4/h6-10H,5H2,1-4H3.

What are the key properties of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?

2-[4-(dimethylamino)phenyl]-2-methylbutanal has a molecular weight of 205.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylamino)phenyl]-2-methylbutanal is sourced from PubChem (CID 24822543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24822543 — identifiers, structure, computed properties (public domain)

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