1-Pentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C16H25NO2 — CID 31556

About 1-Pentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-Pentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 31556) has the molecular formula C16H25NO2 and a molecular weight of 263.37 g/mol. Its IUPAC name is 6,7-dimethoxy-1-pentyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 1-Pentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 31556
• Molecular Formula: C16H25NO2
• Molecular Weight: 263.37 g/mol
• Exact Mass: 263.19
• IUPAC Name: 6,7-dimethoxy-1-pentyl-1,2,3,4-tetrahydroisoquinoline
• SMILES: CCCCCC1C2=CC(=C(C=C2CCN1)OC)OC
• InChIKey: HEXJYLSBFSMHSC-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 30.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: 259

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.37
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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