tert-butyl[(2-fluorophenyl)methyl]amine

• ChemBase ID: 312462
• Molecular Formular: C11H16FN
• Molecular Mass: 181.2498432
• Monoisotopic Mass: 181.12667774
• SMILES: c1(CNC(C)(C)C)c(F)cccc1
• Canonical SMILES: Fc1ccccc1CNC(C)(C)C
• InChI: InChI=1S/C11H16FN/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7,13H,8H2,1-3H3
• InChIKey: ZMQGKSWOGQOQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(2-fluorophenyl)methyl]amine
• IUPAC Traditional name: tert-butyl[(2-fluorophenyl)methyl]amine
• Synonyms: N-(2-fluorobenzyl)-2-methyl-2-propanamine

Database IDs

• CAS Number: 893577-97-4
• MDL Number: MFCD07410275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.36432275
• LogD (pH = 7.4): 1.0051918
• Log P: 2.7282562
• Molar Refractivity: 53.328 cm^3
• Polarizability: 20.70812 Å^3
• Polar Surface Area: 12.03 Å^2