[1-(4-fluorophenyl)cyclopentyl]methanamine

• ChemBase ID: 18798
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: C1(c2ccc(cc2)F)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccc(cc1)F
• InChI: InChI=1S/C12H16FN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
• InChIKey: CFJIWRVURZRCAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(4-fluorophenyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(4-fluorophenyl)cyclopentyl]methanamine; [1-(4-fluorophenyl)cyclopentyl]methanamine; C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine

Database IDs

• CAS Number: 75180-50-6
• MDL Number: MFCD06213188
• PubChem SID: 160982105
• PubChem CID: 6483808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.28783822
• LogD (pH = 7.4): 0.6615874
• Log P: 2.6987624
• Molar Refractivity: 55.7723 cm^3
• Polarizability: 21.743015 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.128

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%