N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine

• ChemBase ID: 269706
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1(c2c(ccc1OC)cccc2)CNC1CCCC1
• Canonical SMILES: COc1ccc2c(c1CNC1CCCC1)cccc2
• InChI: InChI=1S/C17H21NO/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3
• InChIKey: CCCYAJFXIRKIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine
• Synonyms: N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine

Database IDs

• MDL Number: MFCD07405701
• PubChem SID: 164325616
• PubChem CID: 4687870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.521348
• LogD (pH = 7.4): 1.4621116
• Log P: 3.718102
• Molar Refractivity: 78.6326 cm^3
• Polarizability: 32.30402 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.075

Product Information

• Purity: 95%