1-(3-methoxyphenyl)cyclobutan-1-amine

• ChemBase ID: 804351
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(CCC1)(N)c1cc(ccc1)OC
• Canonical SMILES: COc1cccc(c1)C1(N)CCC1
• InChI: InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11(12)6-3-7-11/h2,4-5,8H,3,6-7,12H2,1H3
• InChIKey: PPKMJRHXTNEBGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(3-methoxyphenyl)cyclobutan-1-amine
• Synonyms: 1-(3-METHOXYPHENYL)CYCLOBUTANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2320584
• LogD (pH = 7.4): -0.49124
• Log P: 1.775245
• Molar Refractivity: 52.6964 cm^3
• Polarizability: 21.01965 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%