cyclobutyl(phenyl)methanamine

• ChemBase ID: 270636
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(c1ccccc1)(C1CCC1)N
• Canonical SMILES: NC(c1ccccc1)C1CCC1
• InChI: InChI=1S/C11H15N/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2
• InChIKey: YVAXXHNMTBNQFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutyl(phenyl)methanamine
• IUPAC Traditional name: cyclobutyl(phenyl)methanamine
• Synonyms: cyclobutyl(phenyl)methanamine

Database IDs

• MDL Number: MFCD09805333
• PubChem SID: 164326546
• PubChem CID: 12280945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6267373
• LogD (pH = 7.4): 0.0666801
• Log P: 2.3839273
• Molar Refractivity: 50.7446 cm^3
• Polarizability: 20.390636 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.406

Product Information

• Purity: 95%