methyl({[2-(morpholin-4-yl)phenyl]methyl})amine hydrochloride

• ChemBase ID: 272897
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: N1(c2c(CNC)cccc2)CCOCC1.Cl
• Canonical SMILES: CNCc1ccccc1N1CCOCC1.Cl
• InChI: InChI=1S/C12H18N2O.ClH/c1-13-10-11-4-2-3-5-12(11)14-6-8-15-9-7-14;/h2-5,13H,6-10H2,1H3;1H
• InChIKey: YQLHVQLUQZXLBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)phenyl]methyl})amine hydrochloride
• IUPAC Traditional name: methyl({[2-(morpholin-4-yl)phenyl]methyl})amine hydrochloride
• Synonyms: methyl({[2-(morpholin-4-yl)phenyl]methyl})amine hydrochloride

Database IDs

• MDL Number: MFCD18483208
• PubChem SID: 164328807
• PubChem CID: 54592689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7349696
• LogD (pH = 7.4): -0.5606543
• Log P: 1.421138
• Molar Refractivity: 62.8091 cm^3
• Polarizability: 24.008932 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.966

Product Information

• Purity: 95%