(furan-2-ylmethyl)[1-(4-methoxyphenyl)ethyl]methylamine

• ChemBase ID: 835195
• Molecular Formular: C15H19NO2
• Molecular Mass: 245.31686
• Monoisotopic Mass: 245.14157885
• SMILES: N(C(c1ccc(cc1)OC)C)(Cc1occc1)C
• Canonical SMILES: COc1ccc(cc1)C(N(Cc1ccco1)C)C
• InChI: InChI=1S/C15H19NO2/c1-12(13-6-8-14(17-3)9-7-13)16(2)11-15-5-4-10-18-15/h4-10,12H,11H2,1-3H3
• InChIKey: KGHCWCFQRNWMPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[1-(4-methoxyphenyl)ethyl]methylamine
• IUPAC Traditional name: (furan-2-ylmethyl)[1-(4-methoxyphenyl)ethyl]methylamine
• Synonyms: (2-furylmethyl)[1-(4-methoxyphenyl)ethyl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3269291
• LogD (pH = 7.4): 2.1010492
• Log P: 2.958266
• Molar Refractivity: 72.4862 cm^3
• Polarizability: 28.195467 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.15
• LOG S: -2.67
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 5