[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl](methyl)amine hydrochloride

• ChemBase ID: 241073
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: O1C(Cc2c1cccc2)C(NC)C.Cl
• Canonical SMILES: CNC(C1Cc2c(O1)cccc2)C.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-8(12-2)11-7-9-5-3-4-6-10(9)13-11;/h3-6,8,11-12H,7H2,1-2H3;1H
• InChIKey: ZQWHVYBAENDVLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,3-dihydro-1-benzofuran-2-yl)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [1-(2,3-dihydro-1-benzofuran-2-yl)ethyl](methyl)amine hydrochloride
• Synonyms: [1-(2,3-dihydro-1-benzofuran-2-yl)ethyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22421808
• PubChem SID: 164296983
• PubChem CID: 71756703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2327684
• LogD (pH = 7.4): -0.3204145
• Log P: 1.9674017
• Molar Refractivity: 52.6442 cm^3
• Polarizability: 20.943787 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 1.918

Product Information

• Purity: 95%