[1-(3-fluorophenyl)cyclopentyl]methanamine

• ChemBase ID: 19055
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: C1(c2cc(F)ccc2)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1cccc(c1)F
• InChI: InChI=1S/C12H16FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
• InChIKey: DNRJUAGGSQWTTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(3-fluorophenyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(3-fluorophenyl)cyclopentyl]methanamine; C-[1-(3-Fluoro-phenyl)-cyclopentyl]-methylamine

Database IDs

• CAS Number: 359715-61-0
• MDL Number: MFCD06213186
• PubChem SID: 160982362
• PubChem CID: 16767212

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2833747
• LogD (pH = 7.4): 0.69926107
• Log P: 2.6987624
• Molar Refractivity: 55.7723 cm^3
• Polarizability: 21.743422 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false