1-[(naphthalen-1-ylmethyl)amino]propan-2-ol

• ChemBase ID: 121423
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c12c(CNCC(O)C)cccc1cccc2
• Canonical SMILES: CC(CNCc1cccc2c1cccc2)O
• InChI: InChI=1S/C14H17NO/c1-11(16)9-15-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15-16H,9-10H2,1H3
• InChIKey: DNGJAUHSLOEHST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(naphthalen-1-ylmethyl)amino]propan-2-ol
• IUPAC Traditional name: 1-[(naphthalen-1-ylmethyl)amino]propan-2-ol
• Synonyms: 1-((naphthalen-1-ylmethyl)amino)propan-2-ol

Database IDs

• PubChem SID: 162215776
• PubChem CID: 2772053

CALCULATED PROPERTIES

• Acid pKa: 15.29605
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9392294
• LogD (pH = 7.4): 0.07409488
• Log P: 2.2475445
• Molar Refractivity: 66.4673 cm^3
• Polarizability: 27.451807 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true