[1-(2-chlorophenyl)cyclobutyl]methanamine

• ChemBase ID: 245786
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: c1(C2(CN)CCC2)c(Cl)cccc1
• Canonical SMILES: NCC1(CCC1)c1ccccc1Cl
• InChI: InChI=1S/C11H14ClN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-8,13H2
• InChIKey: KNKTVPIXEOLSNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chlorophenyl)cyclobutyl]methanamine
• IUPAC Traditional name: [1-(2-chlorophenyl)cyclobutyl]methanamine
• Synonyms: [1-(2-chlorophenyl)cyclobutyl]methanamine

Database IDs

• MDL Number: MFCD16169400
• PubChem SID: 164301696
• PubChem CID: 61779484

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.26189318
• LogD (pH = 7.4): 0.75282776
• Log P: 2.7155366
• Molar Refractivity: 55.7597 cm^3
• Polarizability: 22.11902 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.139

Product Information

• Purity: 95%