5-bromo-2-(2-cyclohexylethoxy)aniline

• ChemBase ID: 20567
• Molecular Formular: C14H20BrNO
• Molecular Mass: 298.2187
• Monoisotopic Mass: 297.07282627
• SMILES: c1(cc(ccc1OCCC1CCCCC1)Br)N
• Canonical SMILES: Brc1ccc(c(c1)N)OCCC1CCCCC1
• InChI: InChI=1S/C14H20BrNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
• InChIKey: KILWSMFBDCGOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(2-cyclohexylethoxy)aniline
• IUPAC Traditional name: 5-bromo-2-(2-cyclohexylethoxy)aniline
• Synonyms: 5-Bromo-2-(2-cyclohexylethoxy)aniline

Database IDs

• MDL Number: MFCD08686972
• PubChem SID: 160983874
• PubChem CID: 26190365

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2290096
• LogD (pH = 7.4): 4.236207
• Log P: 4.2362995
• Molar Refractivity: 75.2674 cm^3
• Polarizability: 28.865597 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false