(2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine

• ChemBase ID: 311006
• Molecular Formular: C19H17NO2
• Molecular Mass: 291.34378
• Monoisotopic Mass: 291.12592879
• SMILES: c12c(OCO1)ccc(c2)CNCc1c2c(ccc1)cccc2
• Canonical SMILES: C1Oc2c(O1)ccc(c2)CNCc1cccc2c1cccc2
• InChI: InChI=1S/C19H17NO2/c1-2-7-17-15(4-1)5-3-6-16(17)12-20-11-14-8-9-18-19(10-14)22-13-21-18/h1-10,20H,11-13H2
• InChIKey: RSIPHLXVRPEPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine
• IUPAC Traditional name: (2H-1,3-benzodioxol-5-ylmethyl)(naphthalen-1-ylmethyl)amine
• Synonyms: (1,3-benzodioxol-5-ylmethyl)(1-naphthylmethyl)amine

Database IDs

• CAS Number: 352436-18-1
• MDL Number: MFCD01469281

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7764227
• LogD (pH = 7.4): 2.1464446
• Log P: 3.868778
• Molar Refractivity: 86.1357 cm^3
• Polarizability: 35.169685 Å^3
• Polar Surface Area: 30.49 Å^2