(2-methoxyethyl)[2-(naphthalen-1-yl)ethyl]amine

• ChemBase ID: 29191
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: c12c(cccc1cccc2)CCNCCOC
• Canonical SMILES: COCCNCCc1cccc2c1cccc2
• InChI: InChI=1S/C15H19NO/c1-17-12-11-16-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16H,9-12H2,1H3
• InChIKey: VMCMRKPZIJHBFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[2-(naphthalen-1-yl)ethyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[2-(naphthalen-1-yl)ethyl]amine
• Synonyms: 2-Methoxy-N-[2-(1-naphthyl)ethyl]-1-ethanamine

Database IDs

• MDL Number: MFCD10687811
• PubChem SID: 160992498
• PubChem CID: 28308454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4224308
• LogD (pH = 7.4): 0.6012316
• Log P: 2.762757
• Molar Refractivity: 71.5547 cm^3
• Polarizability: 29.295511 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false