1-(2-aminoethoxy)-4-cyclohexylbenzene hydrochloride

• ChemBase ID: 55020
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: c1(ccc(cc1)OCCN)C1CCCCC1.Cl
• Canonical SMILES: NCCOc1ccc(cc1)C1CCCCC1.Cl
• InChI: InChI=1S/C14H21NO.ClH/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h6-9,12H,1-5,10-11,15H2;1H
• InChIKey: AMHVFUUJZMUYHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-cyclohexylbenzene hydrochloride
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-cyclohexylbenzene hydrochloride
• Synonyms: [2-(4-Cyclohexylphenoxy)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD06090971
• PubChem SID: 162059783
• PubChem CID: 16187430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1719821
• LogD (pH = 7.4): 1.2776203
• Log P: 3.13358
• Molar Refractivity: 66.6626 cm^3
• Polarizability: 26.4809 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