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

• ChemBase ID: 312691
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: [C@H]1([C@@](C1)(C(=O)N(CC)CC)c1ccccc1)CN.Cl
• Canonical SMILES: NC[C@H]1C[C@@]1(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/t13-,15+;/m1./s1
• InChIKey: XNCDYJFPRPDERF-PBCQUBLHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride
• IUPAC Traditional name: milnacipran hydrochloride
• Synonyms: Milnacipran HCl

Database IDs

• CAS Number: 101152-94-7

CALCULATED PROPERTIES

• H Acceptors: 2
• 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
• H Donor: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: HCl