(furan-2-ylmethyl)[3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 35151
• Molecular Formular: C12H20N2O2
• Molecular Mass: 224.2994
• Monoisotopic Mass: 224.15247789
• SMILES: N1(CCCNCc2occc2)CCOCC1
• Canonical SMILES: C(NCc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C12H20N2O2/c1-3-12(16-8-1)11-13-4-2-5-14-6-9-15-10-7-14/h1,3,8,13H,2,4-7,9-11H2
• InChIKey: ILBCZZMPZQMCOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[3-(morpholin-4-yl)propyl]amine
• Synonyms: N-(2-Furylmethyl)-N-(3-morpholin-4-ylpropyl)amine

Database IDs

• MDL Number: MFCD01475416
• PubChem SID: 160998458
• PubChem CID: 3312689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0524619
• LogD (pH = 7.4): -0.82316357
• Log P: 0.4519451
• Molar Refractivity: 63.6559 cm^3
• Polarizability: 24.937061 Å^3
• Polar Surface Area: 37.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false