N-[2-(2,4-dichlorophenoxy)ethyl]cyclohexanamine

• ChemBase ID: 29063
• Molecular Formular: C14H19Cl2NO
• Molecular Mass: 288.21276
• Monoisotopic Mass: 287.08436959
• SMILES: c1(cc(ccc1OCCNC1CCCCC1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OCCNC1CCCCC1
• InChI: InChI=1S/C14H19Cl2NO/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9H2
• InChIKey: HOJPVRDAOSJEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,4-dichlorophenoxy)ethyl]cyclohexanamine
• IUPAC Traditional name: N-[2-(2,4-dichlorophenoxy)ethyl]cyclohexanamine
• Synonyms: N-[2-(2,4-Dichlorophenoxy)ethyl]cyclohexanamine

Database IDs

• MDL Number: MFCD03210972
• PubChem SID: 160992370
• PubChem CID: 28308288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2466722
• LogD (pH = 7.4): 2.042225
• Log P: 4.458531
• Molar Refractivity: 75.8694 cm^3
• Polarizability: 30.28717 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false