[2-(benzyloxy)-3-methoxyphenyl]methanamine hydrochloride

• ChemBase ID: 124152
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: c1(OCc2ccccc2)c(CN)cccc1OC.Cl
• Canonical SMILES: NCc1cccc(c1OCc1ccccc1)OC.Cl
• InChI: InChI=1S/C15H17NO2.ClH/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12;/h2-9H,10-11,16H2,1H3;1H
• InChIKey: GDLRFQRWGFHZLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)-3-methoxyphenyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(benzyloxy)-3-methoxyphenyl]methanamine hydrochloride
• Synonyms: (2-(benzyloxy)-3-methoxyphenyl)methanamine hydrochloride

Database IDs

• PubChem SID: 162218505
• PubChem CID: 51051952

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36946714
• LogD (pH = 7.4): 1.0085679
• Log P: 2.5081449
• Molar Refractivity: 72.0704 cm^3
• Polarizability: 28.336353 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl