(furan-2-ylmethyl)(3-methoxypropyl)amine

• ChemBase ID: 57393
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: c1cc(oc1)CNCCCOC
• Canonical SMILES: COCCCNCc1ccco1
• InChI: InChI=1S/C9H15NO2/c1-11-6-3-5-10-8-9-4-2-7-12-9/h2,4,7,10H,3,5-6,8H2,1H3
• InChIKey: NJEHMJMQTGYMLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(3-methoxypropyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(3-methoxypropyl)amine
• Synonyms: N-(2-Furylmethyl)-3-methoxypropan-1-amine

Database IDs

• CAS Number: 932267-74-8
• MDL Number: MFCD09688631
• PubChem SID: 162062156
• PubChem CID: 16495006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1808407
• LogD (pH = 7.4): -0.49939615
• Log P: 0.6048255
• Molar Refractivity: 47.6058 cm^3
• Polarizability: 18.614923 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