[1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine

• ChemBase ID: 799836
• Molecular Formular: C13H19ClN2
• Molecular Mass: 238.75636
• Monoisotopic Mass: 238.1236763
• SMILES: N(C)C(CN1CCCC1)c1ccc(cc1)Cl
• Canonical SMILES: CNC(c1ccc(cc1)Cl)CN1CCCC1
• InChI: InChI=1S/C13H19ClN2/c1-15-13(10-16-8-2-3-9-16)11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
• InChIKey: FKLLYUGYCHIPBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• Synonyms: [1-(4-Chloro-phenyl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6802393
• LogD (pH = 7.4): 0.622832
• Log P: 2.6198485
• Molar Refractivity: 69.3411 cm^3
• Polarizability: 27.406818 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%