N-(2-aminoethyl)-2-(naphthalen-1-yl)acetamide hydrochloride

• ChemBase ID: 124357
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: c1(c2c(ccc1)cccc2)CC(=O)NCCN.Cl
• Canonical SMILES: NCCNC(=O)Cc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C14H16N2O.ClH/c15-8-9-16-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12;/h1-7H,8-10,15H2,(H,16,17);1H
• InChIKey: PERIBNMFKALPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2-(naphthalen-1-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)-2-(naphthalen-1-yl)acetamide hydrochloride
• Synonyms: N-(2-aminoethyl)-2-(naphthalen-1-yl)acetamide hydrochloride

Database IDs

• PubChem SID: 162218710
• PubChem CID: 3056271

CALCULATED PROPERTIES

• Acid pKa: 16.100443
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7215856
• LogD (pH = 7.4): -0.5278958
• Log P: 1.2202204
• Molar Refractivity: 68.4845 cm^3
• Polarizability: 27.996887 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl