4-(4-fluorophenyl)butan-1-amine

• ChemBase ID: 804234
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: C(CCCc1ccc(cc1)F)N
• Canonical SMILES: NCCCCc1ccc(cc1)F
• InChI: InChI=1S/C10H14FN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7H,1-3,8,12H2
• InChIKey: VIYIIBCNUSHUSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)butan-1-amine
• IUPAC Traditional name: 4-(4-fluorophenyl)butan-1-amine
• Synonyms: 4-(4-FLUOROPHENYL)BUTAN-1-AMINE

Database IDs

• CAS Number: 149080-28-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.60446644
• LogD (pH = 7.4): -0.18448432
• Log P: 2.4195147
• Molar Refractivity: 48.7048 cm^3
• Polarizability: 18.790937 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%