2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride

• ChemBase ID: 797926
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: Cl.C1(C(C1)CN)(C(=O)N(CC)CC)c1ccccc1
• Canonical SMILES: NCC1CC1(c1ccccc1)C(=O)N(CC)CC.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H
• InChIKey: XNCDYJFPRPDERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride
• IUPAC Traditional name: levomilnacipran hydrochloride
• Synonyms: 2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide hydrochloride

Database IDs

• CAS Number: 105310-47-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5899252
• LogD (pH = 7.4): -0.91125065
• Log P: 1.4217067
• Molar Refractivity: 73.8095 cm^3
• Polarizability: 28.916954 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%