2-methyl-3-phenylcyclobutan-1-amine hydrochloride

• ChemBase ID: 239321
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC(C1C)N)c1ccccc1.Cl
• Canonical SMILES: CC1C(N)CC1c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-10(7-11(8)12)9-5-3-2-4-6-9;/h2-6,8,10-11H,7,12H2,1H3;1H
• InChIKey: JXZMESIPVOJFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-phenylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-3-phenylcyclobutan-1-amine hydrochloride
• Synonyms: 2-methyl-3-phenylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22378721
• PubChem SID: 164295231
• PubChem CID: 71756384

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95088065
• LogD (pH = 7.4): -0.46061158
• Log P: 2.0704703
• Molar Refractivity: 50.8462 cm^3
• Polarizability: 20.311905 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 2.176

Product Information

• Purity: 95%