2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine

• ChemBase ID: 243332
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(C(c2ccc(cc2)F)C(CC1)N)C
• Canonical SMILES: CN1CCC(C1c1ccc(cc1)F)N
• InChI: InChI=1S/C11H15FN2/c1-14-7-6-10(13)11(14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3
• InChIKey: PGLORIOSCWIJBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
• Synonyms: 2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD19645162
• PubChem SID: 164299242
• PubChem CID: 64075418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3335934
• LogD (pH = 7.4): -0.5686303
• Log P: 1.2683296
• Molar Refractivity: 55.0037 cm^3
• Polarizability: 21.50347 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.396

Product Information

• Purity: 95%