[3-(furan-2-yl)-3-phenylpropyl](furan-2-ylmethyl)amine

• ChemBase ID: 16833
• Molecular Formular: C18H19NO2
• Molecular Mass: 281.34896
• Monoisotopic Mass: 281.14157885
• SMILES: C(c1ccco1)(c1ccccc1)CCNCc1ccco1
• Canonical SMILES: c1ccc(cc1)C(c1ccco1)CCNCc1ccco1
• InChI: InChI=1S/C18H19NO2/c1-2-6-15(7-3-1)17(18-9-5-13-21-18)10-11-19-14-16-8-4-12-20-16/h1-9,12-13,17,19H,10-11,14H2
• InChIKey: KLKJNZADXHNHED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-3-phenylpropyl](furan-2-ylmethyl)amine
• IUPAC Traditional name: [3-(furan-2-yl)-3-phenylpropyl](furan-2-ylmethyl)amine
• Synonyms: Furan-2-ylmethyl-(3-furan-2-yl-3-phenyl-propyl)-amine

Database IDs

• MDL Number: MFCD02241606
• PubChem SID: 160980140
• PubChem CID: 2929517

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5837711
• LogD (pH = 7.4): 2.2230103
• Log P: 3.4526603
• Molar Refractivity: 82.777 cm^3
• Polarizability: 32.061783 Å^3
• Polar Surface Area: 38.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false