[1-(2-fluorophenyl)pyrrolidin-3-yl]methanamine

• ChemBase ID: 307962
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(c2c(F)cccc2)CC(CC1)CN
• Canonical SMILES: NCC1CCN(C1)c1ccccc1F
• InChI: InChI=1S/C11H15FN2/c12-10-3-1-2-4-11(10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2
• InChIKey: FJDASTFCBOZLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)pyrrolidin-3-yl]methanamine
• IUPAC Traditional name: [1-(2-fluorophenyl)pyrrolidin-3-yl]methanamine
• Synonyms: 1-[1-(2-fluorophenyl)-3-pyrrolidinyl]methanamine

Database IDs

• CAS Number: 479089-93-5
• MDL Number: MFCD09933267

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5190173
• LogD (pH = 7.4): -0.84250337
• Log P: 1.4927583
• Molar Refractivity: 56.203 cm^3
• Polarizability: 21.123781 Å^3
• Polar Surface Area: 29.26 Å^2