2-[(4-aminonaphthalen-1-yl)oxy]propanamide

• ChemBase ID: 238046
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(c2c(c(cc1)N)cccc2)OC(C(=O)N)C
• Canonical SMILES: NC(=O)C(Oc1ccc(c2c1cccc2)N)C
• InChI: InChI=1S/C13H14N2O2/c1-8(13(15)16)17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-8H,14H2,1H3,(H2,15,16)
• InChIKey: CCLXQLDASRNXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-aminonaphthalen-1-yl)oxy]propanamide
• IUPAC Traditional name: 2-[(4-aminonaphthalen-1-yl)oxy]propanamide
• Synonyms: 2-[(4-aminonaphthalen-1-yl)oxy]propanamide

Database IDs

• MDL Number: MFCD19516776
• PubChem SID: 164293956
• PubChem CID: 63690471

CALCULATED PROPERTIES

• Acid pKa: 15.927023
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1610541
• LogD (pH = 7.4): 1.215194
• Log P: 1.2159303
• Molar Refractivity: 66.0725 cm^3
• Polarizability: 26.388315 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.982

Product Information

• Purity: 95%