(furan-2-ylmethyl)(2-phenoxyethyl)amine

• ChemBase ID: 29139
• Molecular Formular: C13H15NO2
• Molecular Mass: 217.2637
• Monoisotopic Mass: 217.11027873
• SMILES: c1(occc1)CNCCOc1ccccc1
• Canonical SMILES: C(NCc1ccco1)COc1ccccc1
• InChI: InChI=1S/C13H15NO2/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13/h1-7,9,14H,8,10-11H2
• InChIKey: VDJHUVSOEDSQMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(2-phenoxyethyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(2-phenoxyethyl)amine
• Synonyms: N-(2-Furylmethyl)-2-phenoxy-1-ethanamine

Database IDs

• MDL Number: MFCD10687766
• PubChem SID: 160992446
• PubChem CID: 28308387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18341444
• LogD (pH = 7.4): 1.5487455
• Log P: 2.2358909
• Molar Refractivity: 62.2491 cm^3
• Polarizability: 24.512718 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false