(2-cyclobutoxyphenyl)methanamine hydrochloride

• ChemBase ID: 276807
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c1(OC2CCC2)c(CN)cccc1.Cl
• Canonical SMILES: NCc1ccccc1OC1CCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10;/h1-2,4,7,10H,3,5-6,8,12H2;1H
• InChIKey: CBQVZVFDHMOLMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclobutoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-cyclobutoxyphenyl)methanamine hydrochloride
• Synonyms: (2-cyclobutoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD19382301
• PubChem SID: 164332717
• PubChem CID: 54594355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0434545
• LogD (pH = 7.4): 0.29502612
• Log P: 1.8514762
• Molar Refractivity: 52.8068 cm^3
• Polarizability: 21.02049 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%