methyl[2-(naphthalen-1-yloxy)ethyl]amine hydrochloride

• ChemBase ID: 15366
• Molecular Formular: C13H16ClNO
• Molecular Mass: 237.72524
• Monoisotopic Mass: 237.09204182
• SMILES: c1ccc2c(c1)c(ccc2)OCCNC.Cl
• Canonical SMILES: CNCCOc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C13H15NO.ClH/c1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13;/h2-8,14H,9-10H2,1H3;1H
• InChIKey: UPZFJZISFGCCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(naphthalen-1-yloxy)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[2-(naphthalen-1-yloxy)ethyl]amine hydrochloride
• Synonyms: N-Methyl-2-(1-naphthyloxy)-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD08727959
• PubChem SID: 160978673
• PubChem CID: 17178030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7311052
• LogD (pH = 7.4): 0.37009084
• Log P: 2.4406478
• Molar Refractivity: 61.6958 cm^3
• Polarizability: 25.672487 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false