2,3-dihydro-1-benzofuran-5-yl(4-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 247916
• Molecular Formular: C16H18ClNO2
• Molecular Mass: 291.77262
• Monoisotopic Mass: 291.1026065
• SMILES: c1(cc2c(OCC2)cc1)C(c1ccc(cc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc2c(c1)CCO2)N.Cl
• InChI: InChI=1S/C16H17NO2.ClH/c1-18-14-5-2-11(3-6-14)16(17)13-4-7-15-12(10-13)8-9-19-15;/h2-7,10,16H,8-9,17H2,1H3;1H
• InChIKey: YDLGXVWQPZBKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-5-yl(4-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-5-yl(4-methoxyphenyl)methanamine hydrochloride
• Synonyms: 2,3-dihydro-1-benzofuran-5-yl(4-methoxyphenyl)methanamine hydrochloride

Database IDs

• PubChem SID: 164303826
• PubChem CID: 71758338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.311825
• LogD (pH = 7.4): 0.9588239
• Log P: 2.6078005
• Molar Refractivity: 75.0502 cm^3
• Polarizability: 29.362339 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.415

Product Information

• Purity: 95%