3,3-diphenylcyclobutan-1-amine

• ChemBase ID: 125345
• Molecular Formular: C16H17N
• Molecular Mass: 223.31288
• Monoisotopic Mass: 223.13609955
• SMILES: c1ccc(cc1)C1(c2ccccc2)CC(N)C1
• Canonical SMILES: NC1CC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H17N/c17-15-11-16(12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
• InChIKey: IABBZBVTZRKDFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diphenylcyclobutan-1-amine
• IUPAC Traditional name: 3,3-diphenylcyclobutanamine
• Synonyms: 3,3-Diphenylcyclobutanamine

Database IDs

• PubChem SID: 162219695
• PubChem CID: 47486
• Chemspider ID: 43204
• Wikipedia Title: 3,3-Diphenylcyclobutanamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.11998081
• LogD (pH = 7.4): 0.6563448
• Log P: 3.1393485
• Molar Refractivity: 81.4391 cm^3
• Polarizability: 28.106504 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled