6-(2,4-dimethylphenyl)-2-methylhexan-3-amine

C₁₅H₂₅N — CID 83927989

About 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine

6-(2,4-dimethylphenyl)-2-methylhexan-3-amine (PubChem CID 83927989) has the molecular formula C₁₅H₂₅N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine.

Molecular Properties

• Compound Name: 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
• PubChem CID: 83927989
• Molecular Formula: C₁₅H₂₅N
• Molecular Weight: 219.37 g/mol
• Exact Mass: 219.20
• IUPAC Name: 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
• SMILES: Cc1ccc(CCCC(N)C(C)C)c(C)c1
• InChI: InChI=1S/C15H25N/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11,15H,5-7,16H2,1-4H3
• InChIKey: QZMBUFRFPDERHO-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.37
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?

The IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine (CID 83927989) is 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine.

What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?

The canonical SMILES for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine is Cc1ccc(CCCC(N)C(C)C)c(C)c1.

What is the InChIKey of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?

The InChIKey is QZMBUFRFPDERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11,15H,5-7,16H2,1-4H3.

What are the key properties of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?

6-(2,4-dimethylphenyl)-2-methylhexan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83927989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83927989 — identifiers, structure, computed properties (public domain)

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