(1-methoxypropan-2-yl)(naphthalen-1-ylmethyl)amine

• ChemBase ID: 311022
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: c12c(CNC(COC)C)cccc1cccc2
• Canonical SMILES: COCC(NCc1cccc2c1cccc2)C
• InChI: InChI=1S/C15H19NO/c1-12(11-17-2)16-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3
• InChIKey: PKIUGZHCULIPDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)(naphthalen-1-ylmethyl)amine
• IUPAC Traditional name: (1-methoxypropan-2-yl)(naphthalen-1-ylmethyl)amine
• Synonyms: (2-methoxy-1-methylethyl)(1-naphthylmethyl)amine

Database IDs

• CAS Number: 355816-73-8
• MDL Number: MFCD01454822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27590007
• LogD (pH = 7.4): 0.8512413
• Log P: 2.890671
• Molar Refractivity: 71.2185 cm^3
• Polarizability: 29.376406 Å^3
• Polar Surface Area: 21.26 Å^2