2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal

C₁₄H₂₁NO — CID 62278481

About 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal

2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal (PubChem CID 62278481) has the molecular formula C₁₄H₂₁NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
• PubChem CID: 62278481
• Molecular Formula: C₁₄H₂₁NO
• Molecular Weight: 219.33 g/mol
• Exact Mass: 219.16
• IUPAC Name: 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
• SMILES: CCCN(C)CC(C)(C=O)c1ccccc1
• InChI: InChI=1S/C14H21NO/c1-4-10-15(3)11-14(2,12-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
• InChIKey: NXYXFMCPEFYMPD-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.33
LogP ≤ 5	2.48
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-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?

The IUPAC name of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal (CID 62278481) is 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal.

What is the SMILES notation for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?

The canonical SMILES for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal is CCCN(C)CC(C)(C=O)c1ccccc1.

What is the InChIKey of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?

The InChIKey is NXYXFMCPEFYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-10-15(3)11-14(2,12-16)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.

What are the key properties of 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal?

2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal has a molecular weight of 219.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal is sourced from PubChem (CID 62278481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62278481 — identifiers, structure, computed properties (public domain)

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