(2-methyl-2-phenylpropyl)(propyl)amine hydrochloride

• ChemBase ID: 283233
• Molecular Formular: C13H22ClN
• Molecular Mass: 227.77348
• Monoisotopic Mass: 227.14407739
• SMILES: C(c1ccccc1)(CNCCC)(C)C.Cl
• Canonical SMILES: CCCNCC(c1ccccc1)(C)C.Cl
• InChI: InChI=1S/C13H21N.ClH/c1-4-10-14-11-13(2,3)12-8-6-5-7-9-12;/h5-9,14H,4,10-11H2,1-3H3;1H
• InChIKey: LWXWIHFUUAXNKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-2-phenylpropyl)(propyl)amine hydrochloride
• IUPAC Traditional name: (2-methyl-2-phenylpropyl)(propyl)amine hydrochloride
• Synonyms: (2-methyl-2-phenylpropyl)(propyl)amine hydrochloride

Database IDs

• MDL Number: MFCD20501962
• PubChem SID: 180668764
• PubChem CID: 54595684

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.21064886
• LogD (pH = 7.4): 0.6582588
• Log P: 3.44256
• Molar Refractivity: 62.2033 cm^3
• Polarizability: 24.750834 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 3.435

Product Information

• Purity: 95%