2-(furan-2-yl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 17230
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: C(N1CCOCC1)(c1ccco1)CN
• Canonical SMILES: NCC(c1ccco1)N1CCOCC1
• InChI: InChI=1S/C10H16N2O2/c11-8-9(10-2-1-5-14-10)12-3-6-13-7-4-12/h1-2,5,9H,3-4,6-8,11H2
• InChIKey: NRMDJRDSDKGPFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(furan-2-yl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(furan-2-yl)-2-morpholinoethanamine; 2-Furan-2-yl-2-morpholin-4-yl-ethylamine

Database IDs

• MDL Number: MFCD07186445
• PubChem SID: 160980537
• PubChem CID: 3159694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8059871
• LogD (pH = 7.4): -1.2577153
• Log P: 0.019172037
• Molar Refractivity: 53.6861 cm^3
• Polarizability: 21.257296 Å^3
• Polar Surface Area: 51.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false