N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

• ChemBase ID: 432533
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: c1(n(ccn1)C)CN(C1CC1)Cc1c(cc2c(c1)CCC2)OC
• Canonical SMILES: COc1cc2CCCc2cc1CN(C1CC1)Cc1nccn1C
• InChI: InChI=1S/C19H25N3O/c1-21-9-8-20-19(21)13-22(17-6-7-17)12-16-10-14-4-3-5-15(14)11-18(16)23-2/h8-11,17H,3-7,12-13H2,1-2H3
• InChIKey: KXSXPOSJURVLOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2343488
• LogD (pH = 7.4): 3.086663
• Log P: 3.133067
• Molar Refractivity: 92.9474 cm^3
• Polarizability: 35.65949 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -2.92
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6