N-cyclopropyl-3-(2-methylphenyl)cyclobutan-1-amine hydrochloride

• ChemBase ID: 279002
• Molecular Formular: C14H20ClN
• Molecular Mass: 237.7683
• Monoisotopic Mass: 237.12842733
• SMILES: C1(c2c(C)cccc2)CC(NC2CC2)C1.Cl
• Canonical SMILES: Cc1ccccc1C1CC(C1)NC1CC1.Cl
• InChI: InChI=1S/C14H19N.ClH/c1-10-4-2-3-5-14(10)11-8-13(9-11)15-12-6-7-12;/h2-5,11-13,15H,6-9H2,1H3;1H
• InChIKey: URKSOKHOQJQVOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(2-methylphenyl)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: N-cyclopropyl-3-(2-methylphenyl)cyclobutan-1-amine hydrochloride
• Synonyms: N-cyclopropyl-3-(2-methylphenyl)cyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233573
• PubChem SID: 164334912
• PubChem CID: 54595088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.091249876
• LogD (pH = 7.4): 0.7435456
• Log P: 3.1170638
• Molar Refractivity: 63.4016 cm^3
• Polarizability: 25.02745 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212 - 214°C
• Hydrophobicity(logP): 2.836

Product Information

• Purity: 95%