2-{[3-(naphthalen-2-yloxy)propyl]amino}ethan-1-ol

• ChemBase ID: 311023
• Molecular Formular: C15H19NO2
• Molecular Mass: 245.31686
• Monoisotopic Mass: 245.14157885
• SMILES: c12cc(ccc1cccc2)OCCCNCCO
• Canonical SMILES: OCCNCCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H19NO2/c17-10-9-16-8-3-11-18-15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-7,12,16-17H,3,8-11H2
• InChIKey: OVVXVESWNDKFHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(naphthalen-2-yloxy)propyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[3-(naphthalen-2-yloxy)propyl]amino}ethanol
• Synonyms: 2-{[3-(2-naphthyloxy)propyl]amino}ethanol

Database IDs

• CAS Number: 418787-71-0
• MDL Number: MFCD01454825

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3732005
• LogD (pH = 7.4): -0.34013388
• Log P: 1.8105056
• Molar Refractivity: 72.8535 cm^3
• Polarizability: 29.915339 Å^3
• Polar Surface Area: 41.49 Å^2