3-(4-fluorophenyl)propan-1-amine

• ChemBase ID: 30187
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1(F)ccc(cc1)CCCN
• Canonical SMILES: NCCCc1ccc(cc1)F
• InChI: InChI=1S/C9H12FN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
• InChIKey: IIFDQESZTDBKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)propan-1-amine
• IUPAC Traditional name: 3-(4-fluorophenyl)propan-1-amine
• Synonyms: 3-(4-Fluoro-phenyl)-propylamine; 3-(4-fluorophenyl)propan-1-amine

Database IDs

• CAS Number: 101488-65-7
• MDL Number: MFCD07374078
• PubChem SID: 160993494
• PubChem CID: 6483796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0450435
• LogD (pH = 7.4): -0.52258635
• Log P: 1.974946
• Molar Refractivity: 44.1038 cm^3
• Polarizability: 16.948704 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%