2-methoxy-1-(4-methylcyclohexyl)ethan-1-amine

• ChemBase ID: 247003
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(CCC(CC1)C)C(N)COC
• Canonical SMILES: COCC(C1CCC(CC1)C)N
• InChI: InChI=1S/C10H21NO/c1-8-3-5-9(6-4-8)10(11)7-12-2/h8-10H,3-7,11H2,1-2H3
• InChIKey: IHPDUYXZIIJVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1-(4-methylcyclohexyl)ethan-1-amine
• IUPAC Traditional name: 2-methoxy-1-(4-methylcyclohexyl)ethanamine
• Synonyms: 2-methoxy-1-(4-methylcyclohexyl)ethan-1-amine

Database IDs

• MDL Number: MFCD20408211
• PubChem SID: 164302913
• PubChem CID: 64773796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.220339
• LogD (pH = 7.4): -0.50238115
• Log P: 1.788635
• Molar Refractivity: 50.9261 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.417

Product Information

• Purity: 95%