5-(4-fluorophenyl)-2-methylpentan-2-amine

• ChemBase ID: 180262
• Molecular Formular: C12H18FN
• Molecular Mass: 195.2764232
• Monoisotopic Mass: 195.1423278
• SMILES: C(N)(CCCc1ccc(F)cc1)(C)C
• Canonical SMILES: CC(CCCc1ccc(cc1)F)(N)C
• InChI: InChI=1S/C12H18FN/c1-12(2,14)9-3-4-10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3
• InChIKey: HAMBUCYIFUMFAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-2-methylpentan-2-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-2-methylpentan-2-amine
• Synonyms: 5-(4-fluorophenyl)-2-methylpentan-2-amine

Database IDs

• CAS Number: 63416-84-2
• PubChem SID: 164236172
• PubChem CID: 53406945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.0867315
• LogD (pH = 7.4): 0.2832673
• Log P: 3.1166663
• Molar Refractivity: 57.7618 cm^3
• Polarizability: 22.477476 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true