6-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline

• ChemBase ID: 248659
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: N1=C(c2c(CC1C)cc(cc2)OC)C
• Canonical SMILES: COc1ccc2c(c1)CC(N=C2C)C
• InChI: InChI=1S/C12H15NO/c1-8-6-10-7-11(14-3)4-5-12(10)9(2)13-8/h4-5,7-8H,6H2,1-3H3
• InChIKey: DXZAMPLVUDTVSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline
• IUPAC Traditional name: 6-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline
• Synonyms: 6-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline

Database IDs

• PubChem SID: 164304569
• PubChem CID: 71758551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0910851
• LogD (pH = 7.4): 2.0220382
• Log P: 2.066023
• Molar Refractivity: 57.6062 cm^3
• Polarizability: 21.967655 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.58

Product Information

• Purity: 95%