2-cyclobutyl-1-phenylethan-1-amine

• ChemBase ID: 247050
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C(CC1CCC1)(c1ccccc1)N
• Canonical SMILES: NC(c1ccccc1)CC1CCC1
• InChI: InChI=1S/C12H17N/c13-12(9-10-5-4-6-10)11-7-2-1-3-8-11/h1-3,7-8,10,12H,4-6,9,13H2
• InChIKey: NONUKKBEZAIXNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutyl-1-phenylethan-1-amine
• IUPAC Traditional name: 2-cyclobutyl-1-phenylethanamine
• Synonyms: 2-cyclobutyl-1-phenylethan-1-amine

Database IDs

• MDL Number: MFCD21240777
• PubChem SID: 164302960
• PubChem CID: 65459036

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25743663
• LogD (pH = 7.4): 0.4742943
• Log P: 2.7505422
• Molar Refractivity: 55.4226 cm^3
• Polarizability: 22.237713 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.935

Product Information

• Purity: 95%