2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 272024
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: C1(CC1N)c1cc2c(cc1OCC)CC(O2)C.Cl
• Canonical SMILES: CCOc1cc2CC(Oc2cc1C1CC1N)C.Cl
• InChI: InChI=1S/C14H19NO2.ClH/c1-3-16-14-5-9-4-8(2)17-13(9)7-11(14)10-6-12(10)15;/h5,7-8,10,12H,3-4,6,15H2,1-2H3;1H
• InChIKey: MXPFFKQMPPAWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18089482
• PubChem SID: 164327934
• PubChem CID: 50988252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.155152
• LogD (pH = 7.4): -0.2499245
• Log P: 1.8368114
• Molar Refractivity: 67.1 cm^3
• Polarizability: 26.32181 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.119

Product Information

• Purity: 95%