[(2-methoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 254634
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: c1(c(OC)cccc1)CNC.Cl
• Canonical SMILES: CNCc1ccccc1OC.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-10-7-8-5-3-4-6-9(8)11-2;/h3-6,10H,7H2,1-2H3;1H
• InChIKey: QUSDCCXFZHIKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2-methoxyphenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07106792
• PubChem SID: 164310544
• PubChem CID: 17290682

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.69581
• LogD (pH = 7.4): -0.27871615
• Log P: 1.3739234
• Molar Refractivity: 45.7692 cm^3
• Polarizability: 18.066963 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 1.429

Product Information

• Purity: 95%