(1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine

• ChemBase ID: 307442
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: [C@@H]1(Cc2ccc(F)cc2)[C@H](N)CCC1
• Canonical SMILES: N[C@@H]1CCC[C@@H]1Cc1ccc(cc1)F
• InChI: InChI=1S/C12H16FN/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10,12H,1-3,8,14H2/t10-,12-/m1/s1
• InChIKey: QDTQPMOMFUJZMV-ZYHUDNBSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
• IUPAC Traditional name: (1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
• Synonyms: rac-(1R,2R)-2-(4-fluorobenzyl)cyclopentanamine

Database IDs

• MDL Number: MFCD06803065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21100229
• LogD (pH = 7.4): 0.13563071
• Log P: 2.8152905
• Molar Refractivity: 55.716 cm^3
• Polarizability: 21.745636 Å^3
• Polar Surface Area: 26.02 Å^2