2-tert-butyl-N-ethylaniline

• ChemBase ID: 284208
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(C(C)(C)C)c(NCC)cccc1
• Canonical SMILES: CCNc1ccccc1C(C)(C)C
• InChI: InChI=1S/C12H19N/c1-5-13-11-9-7-6-8-10(11)12(2,3)4/h6-9,13H,5H2,1-4H3
• InChIKey: FFEJLRPCIUMIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-N-ethylaniline
• IUPAC Traditional name: 2-tert-butyl-N-ethylaniline
• Synonyms: 2-tert-butyl-N-ethylaniline

Database IDs

• MDL Number: MFCD11916064
• PubChem SID: 180669739
• PubChem CID: 522571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2945397
• LogD (pH = 7.4): 3.347174
• Log P: 3.3478882
• Molar Refractivity: 59.6663 cm^3
• Polarizability: 22.494972 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.996

Product Information

• Purity: 95%