2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride

• ChemBase ID: 241405
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: O(c1c(C)cccc1)C1C(N)CCCC1.Cl
• Canonical SMILES: NC1CCCCC1Oc1ccccc1C.Cl
• InChI: InChI=1S/C13H19NO.ClH/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;/h2,4,6,8,11,13H,3,5,7,9,14H2,1H3;1H
• InChIKey: IZDFXCLVMUUJSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride
• Synonyms: 2-(2-methylphenoxy)cyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421874
• PubChem SID: 164297315
• PubChem CID: 71756780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.051560238
• LogD (pH = 7.4): 0.7965118
• Log P: 2.946481
• Molar Refractivity: 61.5956 cm^3
• Polarizability: 24.638277 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 274 - 276°C
• Hydrophobicity(logP): 3.163

Product Information

• Purity: 95%