6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-amine

• ChemBase ID: 274627
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(c(c(cc2c1CCNC2)OC)OC)N
• Canonical SMILES: COc1cc2CNCCc2c(c1OC)N
• InChI: InChI=1S/C11H16N2O2/c1-14-9-5-7-6-13-4-3-8(7)10(12)11(9)15-2/h5,13H,3-4,6,12H2,1-2H3
• InChIKey: UZJSFWIWKOGDDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
• IUPAC Traditional name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
• Synonyms: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-amine

Database IDs

• MDL Number: MFCD18838916
• PubChem SID: 164330537
• PubChem CID: 54593289

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6769705
• LogD (pH = 7.4): -1.3276383
• Log P: 0.42721465
• Molar Refractivity: 60.2424 cm^3
• Polarizability: 22.745731 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.317

Product Information

• Purity: 95%