methyl[(2-propoxynaphthalen-1-yl)methyl]amine

• ChemBase ID: 249405
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: c1(c2c(ccc1OCCC)cccc2)CNC
• Canonical SMILES: CNCc1c(OCCC)ccc2c1cccc2
• InChI: InChI=1S/C15H19NO/c1-3-10-17-15-9-8-12-6-4-5-7-13(12)14(15)11-16-2/h4-9,16H,3,10-11H2,1-2H3
• InChIKey: AMPHVLCTNKHDBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-propoxynaphthalen-1-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-propoxynaphthalen-1-yl)methyl]amine
• Synonyms: N-methyl-N-[(2-propoxy-1-naphthyl)methyl]amine

Database IDs

• MDL Number: MFCD06655780
• PubChem SID: 164305315
• PubChem CID: 4962353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.10153338
• LogD (pH = 7.4): 1.3334745
• Log P: 3.2427304
• Molar Refractivity: 71.492 cm^3
• Polarizability: 29.358105 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 3.661

Product Information

• Purity: 95%