2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 17098
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: c1(C(N2CCOCC2)CN)ccc(o1)C
• Canonical SMILES: NCC(c1ccc(o1)C)N1CCOCC1
• InChI: InChI=1S/C11H18N2O2/c1-9-2-3-11(15-9)10(8-12)13-4-6-14-7-5-13/h2-3,10H,4-8,12H2,1H3
• InChIKey: HYCDWTZMSHESDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(5-Methyl-furan-2-yl)-2-morpholin-4-yl-ethylamine; 2-(5-methyl-2-furyl)-2-morpholin-4-ylethanamine

Database IDs

• CAS Number: 875160-04-6
• MDL Number: MFCD07643208
• PubChem SID: 160980405
• PubChem CID: 6484113

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6258924
• LogD (pH = 7.4): -1.0922945
• Log P: 0.21873336
• Molar Refractivity: 58.8358 cm^3
• Polarizability: 23.02108 Å^3
• Polar Surface Area: 51.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.796

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%