5-chloro-2-(2-cyclohexylethoxy)aniline

• ChemBase ID: 19637
• Molecular Formular: C14H20ClNO
• Molecular Mass: 253.7677
• Monoisotopic Mass: 253.12334195
• SMILES: c1(cc(ccc1OCCC1CCCCC1)Cl)N
• Canonical SMILES: Clc1ccc(c(c1)N)OCCC1CCCCC1
• InChI: InChI=1S/C14H20ClNO/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: KZCCHVLYYVDGBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(2-cyclohexylethoxy)aniline
• IUPAC Traditional name: 5-chloro-2-(2-cyclohexylethoxy)aniline
• Synonyms: 5-Chloro-2-(2-cyclohexylethoxy)aniline

Database IDs

• MDL Number: MFCD08687244
• PubChem SID: 160982944
• PubChem CID: 26189241

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.065905
• LogD (pH = 7.4): 4.0715194
• Log P: 4.0715914
• Molar Refractivity: 72.4494 cm^3
• Polarizability: 28.004814 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