2-(2-methoxyphenyl)-2-methylcyclopropan-1-amine hydrochloride

• ChemBase ID: 279024
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C1(CC1N)(c1c(OC)cccc1)C.Cl
• Canonical SMILES: COc1ccccc1C1(C)CC1N.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-11(7-10(11)12)8-5-3-4-6-9(8)13-2;/h3-6,10H,7,12H2,1-2H3;1H
• InChIKey: KNKZJWPSCFLPQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-2-methylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-methoxyphenyl)-2-methylcyclopropan-1-amine hydrochloride
• Synonyms: 2-(2-methoxyphenyl)-2-methylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233582
• PubChem SID: 164334934
• PubChem CID: 54595101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3925133
• LogD (pH = 7.4): -0.24011953
• Log P: 1.5592121
• Molar Refractivity: 52.5579 cm^3
• Polarizability: 20.943132 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 1.916

Product Information

• Purity: 95%