(1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

• ChemBase ID: 184522
• Molecular Formular: C16H24ClNO2
• Molecular Mass: 297.82026
• Monoisotopic Mass: 297.14955669
• SMILES: c12c(cc(c(c1)OC)OC)C(NCC12CCCC1)C.Cl
• Canonical SMILES: COc1cc2c(cc1OC)C(C)NCC12CCCC1.Cl
• InChI: InChI=1S/C16H23NO2.ClH/c1-11-12-8-14(18-2)15(19-3)9-13(12)16(10-17-11)6-4-5-7-16;/h8-9,11,17H,4-7,10H2,1-3H3;1H
• InChIKey: QREPYPJUIPHSPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride
• IUPAC Traditional name: (1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

Database IDs

• PubChem SID: 164240432
• PubChem CID: 2836246

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28655446
• LogD (pH = 7.4): 0.9902037
• Log P: 2.8411007
• Molar Refractivity: 76.2303 cm^3
• Polarizability: 30.083616 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds