[2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine

• ChemBase ID: 237077
• Molecular Formular: C13H15NO2
• Molecular Mass: 217.2637
• Monoisotopic Mass: 217.11027873
• SMILES: c1(c(ccc(c1)C)CN)OCc1occc1
• Canonical SMILES: NCc1ccc(cc1OCc1ccco1)C
• InChI: InChI=1S/C13H15NO2/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h2-7H,8-9,14H2,1H3
• InChIKey: ZIQIKSKGGGAPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine
• IUPAC Traditional name: [2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine
• Synonyms: [2-(furan-2-ylmethoxy)-4-methylphenyl]methanamine

Database IDs

• MDL Number: MFCD16731715
• PubChem SID: 164292987
• PubChem CID: 62306590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6653249
• LogD (pH = 7.4): 0.6478501
• Log P: 2.239484
• Molar Refractivity: 63.0393 cm^3
• Polarizability: 24.428305 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.456

Product Information

• Purity: 95%