(furan-2-ylmethyl)[(5-methyl-1-benzofuran-2-yl)methyl]amine

• ChemBase ID: 278006
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: o1c(cc2c1ccc(c2)C)CNCc1occc1
• Canonical SMILES: Cc1ccc2c(c1)cc(o2)CNCc1ccco1
• InChI: InChI=1S/C15H15NO2/c1-11-4-5-15-12(7-11)8-14(18-15)10-16-9-13-3-2-6-17-13/h2-8,16H,9-10H2,1H3
• InChIKey: LIVZZWVHKHZBMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(5-methyl-1-benzofuran-2-yl)methyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[(5-methyl-1-benzofuran-2-yl)methyl]amine
• Synonyms: (furan-2-ylmethyl)[(5-methyl-1-benzofuran-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD16284419
• PubChem SID: 164333916
• PubChem CID: 53618400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3572667
• LogD (pH = 7.4): 2.7491603
• Log P: 2.9088602
• Molar Refractivity: 70.0693 cm^3
• Polarizability: 28.152967 Å^3
• Polar Surface Area: 38.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.903

Product Information

• Purity: 95%