2-[2-(1-benzofuran-2-yl)phenyl]ethan-1-amine

• ChemBase ID: 569240
• Molecular Formular: C16H15NO
• Molecular Mass: 237.2964
• Monoisotopic Mass: 237.11536411
• SMILES: c1(oc2c(c1)cccc2)c1c(CCN)cccc1
• Canonical SMILES: NCCc1ccccc1c1cc2c(o1)cccc2
• InChI: InChI=1S/C16H15NO/c17-10-9-12-5-1-3-7-14(12)16-11-13-6-2-4-8-15(13)18-16/h1-8,11H,9-10,17H2
• InChIKey: LEAHNZSFBKTRIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-benzofuran-2-yl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2-[2-(1-benzofuran-2-yl)phenyl]ethanamine
• Synonyms: 2-[2-(1-benzofuran-2-yl)phenyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10897269
• LogD (pH = 7.4): 0.8786522
• Log P: 3.1140254
• Molar Refractivity: 73.1412 cm^3
• Polarizability: 30.997923 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.82
• LOG S: -3.19
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 3