(2-butoxynaphthalen-1-yl)methanamine hydrochloride

• ChemBase ID: 45300
• Molecular Formular: C15H20ClNO
• Molecular Mass: 265.7784
• Monoisotopic Mass: 265.12334195
• SMILES: c1(c2c(ccc1OCCCC)cccc2)CN.Cl
• Canonical SMILES: CCCCOc1ccc2c(c1CN)cccc2.Cl
• InChI: InChI=1S/C15H19NO.ClH/c1-2-3-10-17-15-9-8-12-6-4-5-7-13(12)14(15)11-16;/h4-9H,2-3,10-11,16H2,1H3;1H
• InChIKey: NAZNILQODRXFAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-butoxynaphthalen-1-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-butoxynaphthalen-1-yl)methanamine hydrochloride
• Synonyms: [(2-Butoxy-1-naphthyl)methyl]amine hydrochloride

Database IDs

• MDL Number: MFCD12195862
• PubChem SID: 162050063
• PubChem CID: 44229295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31810588
• LogD (pH = 7.4): 1.5315316
• Log P: 3.2547188
• Molar Refractivity: 71.3184 cm^3
• Polarizability: 29.358128 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false