benzyl[1-(furan-2-yl)ethyl]amine

• ChemBase ID: 255571
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c1(occc1)C(NCc1ccccc1)C
• Canonical SMILES: CC(c1ccco1)NCc1ccccc1
• InChI: InChI=1S/C13H15NO/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
• InChIKey: MVUROKMDHJEIHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[1-(furan-2-yl)ethyl]amine
• IUPAC Traditional name: benzyl[1-(furan-2-yl)ethyl]amine
• Synonyms: benzyl[1-(furan-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD01935766
• PubChem SID: 164311481
• PubChem CID: 2729908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3516454
• LogD (pH = 7.4): 2.0807369
• Log P: 2.7328894
• Molar Refractivity: 60.7283 cm^3
• Polarizability: 23.854828 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.153

Product Information

• Purity: 95%