2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline

• ChemBase ID: 273237
• Molecular Formular: C10H15FN2
• Molecular Mass: 182.2379032
• Monoisotopic Mass: 182.12192671
• SMILES: c1(c(ccc(c1)F)N(C)C)C(N)C
• Canonical SMILES: Fc1ccc(c(c1)C(N)C)N(C)C
• InChI: InChI=1S/C10H15FN2/c1-7(12)9-6-8(11)4-5-10(9)13(2)3/h4-7H,12H2,1-3H3
• InChIKey: AXTDJCWTDXAMFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
• IUPAC Traditional name: 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
• Synonyms: 2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD11137153
• PubChem SID: 164329147
• PubChem CID: 43188896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.166747
• LogD (pH = 7.4): 0.062144462
• Log P: 1.7663351
• Molar Refractivity: 53.5952 cm^3
• Polarizability: 20.003904 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.882

Product Information

• Purity: 95%