({2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl}methyl)[1-(furan-2-yl)ethyl]methylamine

• ChemBase ID: 329099
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: c1(CN(C(c2occc2)C)C)c(c(OC)ccc1)OCCN(C)C
• Canonical SMILES: COc1cccc(c1OCCN(C)C)CN(C(c1ccco1)C)C
• InChI: InChI=1S/C19H28N2O3/c1-15(17-10-7-12-23-17)21(4)14-16-8-6-9-18(22-5)19(16)24-13-11-20(2)3/h6-10,12,15H,11,13-14H2,1-5H3
• InChIKey: RGTWBGLEYWNZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl}methyl)[1-(furan-2-yl)ethyl]methylamine
• IUPAC Traditional name: ({2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl}methyl)[1-(furan-2-yl)ethyl]methylamine
• Synonyms: N-{2-[2-(dimethylamino)ethoxy]-3-methoxybenzyl}-1-(2-furyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1151104
• LogD (pH = 7.4): 1.1950339
• Log P: 2.8192394
• Molar Refractivity: 96.9685 cm^3
• Polarizability: 37.761295 Å^3
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.99
• LOG S: -3.17
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 9