[(2-methoxy-5-methylphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 249837
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1(c(ccc(c1)C)OC)CNC.Cl
• Canonical SMILES: CNCc1cc(C)ccc1OC.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8-4-5-10(12-3)9(6-8)7-11-2;/h4-6,11H,7H2,1-3H3;1H
• InChIKey: ROQKTCVLSNLQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxy-5-methylphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-methoxy-5-methylphenyl)methyl](methyl)amine hydrochloride
• Synonyms: N-(2-methoxy-5-methylbenzyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07323323
• PubChem SID: 164305747
• PubChem CID: 16249296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1901803
• LogD (pH = 7.4): 0.21159227
• Log P: 1.8873447
• Molar Refractivity: 50.8104 cm^3
• Polarizability: 19.832663 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 1.928

Product Information

• Purity: 95%
• Salt Data: HCl