[2-(5-fluoro-1H-indol-3-yl)ethyl]dimethylamine

• ChemBase ID: 125485
• Molecular Formular: C12H15FN2
• Molecular Mass: 206.2593032
• Monoisotopic Mass: 206.12192671
• SMILES: Fc1ccc2c(c1)c(c[nH]2)CCN(C)C
• Canonical SMILES: CN(CCc1c[nH]c2c1cc(F)cc2)C
• InChI: InChI=1S/C12H15FN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
• InChIKey: BXYDWQABVPBLBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-fluoro-1H-indol-3-yl)ethyl]dimethylamine
• IUPAC Traditional name: 5-fluoro-dmt
• Synonyms: 5-Fluoro-DMT; 6-Fluoro-DMT

Database IDs

• CAS Number: 22120-36-1
• PubChem SID: 162219835
• PubChem CID: 2762738
• Chemspider ID: 26286731; 2043436
• Wikipedia Title: 6-Fluoro-DMT; 5-Fluoro-DMT

CALCULATED PROPERTIES

• Acid pKa: 17.209263
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95117944
• LogD (pH = 7.4): 0.29905102
• Log P: 2.4447677
• Molar Refractivity: 60.6586 cm^3
• Polarizability: 24.007357 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true