2-(3-fluorophenyl)propan-2-amine

• ChemBase ID: 277091
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1(C(N)(C)C)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(N)(C)C
• InChI: InChI=1S/C9H12FN/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6H,11H2,1-2H3
• InChIKey: UVDZXNRATDMYMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)propan-2-amine
• IUPAC Traditional name: 2-(3-fluorophenyl)propan-2-amine
• Synonyms: 2-(3-fluorophenyl)propan-2-amine

Database IDs

• CAS Number: 74702-89-9
• MDL Number: MFCD11584348
• PubChem SID: 164333001
• PubChem CID: 19425192

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0712304
• LogD (pH = 7.4): -0.36942574
• Log P: 1.9388679
• Molar Refractivity: 43.8048 cm^3
• Polarizability: 17.021603 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.945

Product Information

• Purity: 95%; 98%