ethyl[1-(3-fluorophenyl)propan-2-yl]amine

• ChemBase ID: 125379
• Molecular Formular: C11H16FN
• Molecular Mass: 181.2498432
• Monoisotopic Mass: 181.12667774
• SMILES: c1ccc(CC(C)NCC)cc1F
• Canonical SMILES: CCNC(Cc1cccc(c1)F)C
• InChI: InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3
• InChIKey: CKPWHLGHHXSVJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(3-fluorophenyl)propan-2-yl]amine
• IUPAC Traditional name: 3-fluoroethamphetamine
• Synonyms: 3-Fluoroethamphetamine

Database IDs

• PubChem SID: 162219729
• PubChem CID: 57458869
• Wikipedia Title: 3-Fluoroethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49021265
• LogD (pH = 7.4): 0.08263881
• Log P: 2.7363408
• Molar Refractivity: 53.4448 cm^3
• Polarizability: 20.633284 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true