N-methyl-3-phenylcyclobutan-1-amine

• ChemBase ID: 238535
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC(C1)NC)c1ccccc1
• Canonical SMILES: CNC1CC(C1)c1ccccc1
• InChI: InChI=1S/C11H15N/c1-12-11-7-10(8-11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
• InChIKey: NGQQSJCHKKZSJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12097548
• PubChem SID: 164294445
• PubChem CID: 43632051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0842235
• LogD (pH = 7.4): -0.43348548
• Log P: 2.1380777
• Molar Refractivity: 51.1492 cm^3
• Polarizability: 20.312082 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.803

Product Information

• Purity: 95%