2-methyl-2-(propylamino)propyl benzoate

• ChemBase ID: 128260
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: CCCNC(C)(C)COC(=O)c1ccccc1
• Canonical SMILES: CCCNC(COC(=O)c1ccccc1)(C)C
• InChI: InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
• InChIKey: VXJABHHJLXLNMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(propylamino)propyl benzoate
• IUPAC Traditional name: meprylcaine
• Synonyms: Meprylcaine

Database IDs

• CAS Number: 495-70-5
• PubChem SID: 162222569
• PubChem CID: 4065
• Wikipedia Title: Meprylcaine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.008850435
• LogD (pH = 7.4): 0.9246483
• Log P: 3.1888013
• Molar Refractivity: 69.1373 cm^3
• Polarizability: 27.328413 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true