5-cyclohexyl-2-methoxyaniline

• ChemBase ID: 9919
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1c(ccc(c1N)OC)C1CCCCC1
• Canonical SMILES: COc1ccc(cc1N)C1CCCCC1
• InChI: InChI=1S/C13H19NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h7-10H,2-6,14H2,1H3
• InChIKey: ZGCZLEYNQKVVMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclohexyl-2-methoxyaniline
• IUPAC Traditional name: 5-cyclohexyl-2-methoxyaniline
• Synonyms: 5-Cyclohexyl-o-anisidine

Database IDs

• CAS Number: 206559-52-6
• MDL Number: MFCD00270102
• PubChem SID: 160973226
• PubChem CID: 2757991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0538375
• LogD (pH = 7.4): 3.1010017
• Log P: 3.1016378
• Molar Refractivity: 63.4132 cm^3
• Polarizability: 24.239252 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-68°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%