1-(furan-2-yl)-3-methoxypropan-1-amine

• ChemBase ID: 248602
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: c1(occc1)C(N)CCOC
• Canonical SMILES: COCCC(c1ccco1)N
• InChI: InChI=1S/C8H13NO2/c1-10-6-4-7(9)8-3-2-5-11-8/h2-3,5,7H,4,6,9H2,1H3
• InChIKey: GPWJBLPYJJGYTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-3-methoxypropan-1-amine
• IUPAC Traditional name: 1-(furan-2-yl)-3-methoxypropan-1-amine
• Synonyms: 1-(furan-2-yl)-3-methoxypropan-1-amine

Database IDs

• MDL Number: MFCD16847544
• PubChem SID: 164304512
• PubChem CID: 62716296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3645544
• LogD (pH = 7.4): -0.7104541
• Log P: 0.2320122
• Molar Refractivity: 42.5014 cm^3
• Polarizability: 16.775776 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.471

Product Information

• Purity: 95%