N-[(4-methoxynaphthalen-1-yl)methyl]cyclopentanamine

• ChemBase ID: 310867
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c12c(c(ccc1CNC1CCCC1)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)CNC1CCCC1
• InChI: InChI=1S/C17H21NO/c1-19-17-11-10-13(12-18-14-6-2-3-7-14)15-8-4-5-9-16(15)17/h4-5,8-11,14,18H,2-3,6-7,12H2,1H3
• InChIKey: HCQPAQGBXXJFMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxynaphthalen-1-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(4-methoxynaphthalen-1-yl)methyl]cyclopentanamine
• Synonyms: N-[(4-methoxy-1-naphthyl)methyl]cyclopentanamine

Database IDs

• CAS Number: 353778-46-8
• MDL Number: MFCD01134981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48831448
• LogD (pH = 7.4): 0.9901644
• Log P: 3.718102
• Molar Refractivity: 78.6326 cm^3
• Polarizability: 32.307796 Å^3
• Polar Surface Area: 21.26 Å^2