[2-(propan-2-yloxy)naphthalen-1-yl]methanamine

• ChemBase ID: 122997
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c1(c(OC(C)C)ccc2c1cccc2)CN
• Canonical SMILES: NCc1c(ccc2c1cccc2)OC(C)C
• InChI: InChI=1S/C14H17NO/c1-10(2)16-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8,10H,9,15H2,1-2H3
• InChIKey: SFSIQOGCFKWXBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(propan-2-yloxy)naphthalen-1-yl]methanamine
• IUPAC Traditional name: (2-isopropoxynaphthalen-1-yl)methanamine
• Synonyms: (2-isopropoxynaphthalen-1-yl)methanamine

Database IDs

• PubChem SID: 162217350
• PubChem CID: 28284445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23212287
• LogD (pH = 7.4): 0.9823606
• Log P: 2.7042027
• Molar Refractivity: 66.6122 cm^3
• Polarizability: 27.511276 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true