4-[(1-methylcyclohexyl)methoxy]aniline

• ChemBase ID: 173483
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C1(CCCCC1)(COc1ccc(cc1)N)C
• Canonical SMILES: CC1(CCCCC1)COc1ccc(cc1)N
• InChI: InChI=1S/C14H21NO/c1-14(9-3-2-4-10-14)11-16-13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,15H2,1H3
• InChIKey: MHDJBUXPIIBKCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-methylcyclohexyl)methoxy]aniline
• IUPAC Traditional name: 4-[(1-methylcyclohexyl)methoxy]aniline
• Synonyms: 1-Methyl-1-cyclohexanemethyl-4-aminophenyl; (1-Methylcyclohexanyl)methyl-4-aminophenyl Ether

Database IDs

• CAS Number: 887406-96-4
• PubChem SID: 164229393
• PubChem CID: 5072088

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3262365
• LogD (pH = 7.4): 3.4766297
• Log P: 3.4789326
• Molar Refractivity: 67.3647 cm^3
• Polarizability: 26.164047 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethanol; Ethyl Acetate,
• Apperance: Thick Brown Oil