[1-(7-methoxy-1-benzofuran-2-yl)ethyl][3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 34983
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: o1c(cc2c1c(OC)ccc2)C(NCCCN1CCOCC1)C
• Canonical SMILES: COc1cccc2c1oc(c2)C(NCCCN1CCOCC1)C
• InChI: InChI=1S/C18H26N2O3/c1-14(19-7-4-8-20-9-11-22-12-10-20)17-13-15-5-3-6-16(21-2)18(15)23-17/h3,5-6,13-14,19H,4,7-12H2,1-2H3
• InChIKey: DRDZYXKGWQNTLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(7-methoxy-1-benzofuran-2-yl)ethyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [1-(7-methoxy-1-benzofuran-2-yl)ethyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: N-[1-(7-Methoxy-1-benzofuran-2-yl)ethyl]-N-(3-morpholin-4-ylpropyl)amine

Database IDs

• MDL Number: MFCD12027179
• PubChem SID: 160998290
• PubChem CID: 25219581

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.8801954
• LogD (pH = 7.4): -0.0019100144
• Log P: 1.7297268
• Molar Refractivity: 90.8656 cm^3
• Polarizability: 36.824173 Å^3
• Polar Surface Area: 46.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false