1-(6-methoxynaphthalen-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 143966
• Molecular Formular: C13H16ClNO
• Molecular Mass: 237.72524
• Monoisotopic Mass: 237.09204182
• SMILES: CC(c1ccc2cc(ccc2c1)OC)N.Cl
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(N)C.Cl
• InChI: InChI=1S/C13H15NO.ClH/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;/h3-9H,14H2,1-2H3;1H
• InChIKey: IUQPLZORRBTNOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxynaphthalen-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(6-methoxynaphthalen-2-yl)ethanamine hydrochloride
• Synonyms: 1-(6-Methoxy-2-naphthyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD11841222
• PubChem SID: 162238183
• PubChem CID: 45595268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6555773
• LogD (pH = 7.4): 0.13903663
• Log P: 2.3473947
• Molar Refractivity: 61.8636 cm^3
• Polarizability: 25.663422 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C13H16ClNO

DETAILS

Sigma Aldrich - CBR00766

Other Notes
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Legal Information
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