methyl[2-phenyl-2-(propan-2-yloxy)ethyl]amine hydrochloride

• ChemBase ID: 259060
• Molecular Formular: C12H20ClNO
• Molecular Mass: 229.7463
• Monoisotopic Mass: 229.12334195
• SMILES: O(C(c1ccccc1)CNC)C(C)C.Cl
• Canonical SMILES: CNCC(c1ccccc1)OC(C)C.Cl
• InChI: InChI=1S/C12H19NO.ClH/c1-10(2)14-12(9-13-3)11-7-5-4-6-8-11;/h4-8,10,12-13H,9H2,1-3H3;1H
• InChIKey: OVIUUMOGAKGYQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-phenyl-2-(propan-2-yloxy)ethyl]amine hydrochloride
• IUPAC Traditional name: (2-isopropoxy-2-phenylethyl)(methyl)amine hydrochloride
• Synonyms: methyl[2-phenyl-2-(propan-2-yloxy)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD11857931
• PubChem SID: 164314970
• PubChem CID: 43810827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8287123
• LogD (pH = 7.4): 0.38392067
• Log P: 2.3177693
• Molar Refractivity: 59.1871 cm^3
• Polarizability: 23.620686 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.218

Product Information

• Purity: 95%