tert-butyl[(4-ethylphenyl)methyl]amine

• ChemBase ID: 312329
• Molecular Formular: C13H21N
• Molecular Mass: 191.31254
• Monoisotopic Mass: 191.16739968
• SMILES: N(C(C)(C)C)Cc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CNC(C)(C)C
• InChI: InChI=1S/C13H21N/c1-5-11-6-8-12(9-7-11)10-14-13(2,3)4/h6-9,14H,5,10H2,1-4H3
• InChIKey: LHRKMPXZPPPZPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(4-ethylphenyl)methyl]amine
• IUPAC Traditional name: tert-butyl[(4-ethylphenyl)methyl]amine
• Synonyms: N-(4-ethylbenzyl)-2-methyl-2-propanamine

Database IDs

• CAS Number: 137957-41-6
• MDL Number: MFCD04576216

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.32504764
• LogD (pH = 7.4): 1.0347472
• Log P: 3.5435443
• Molar Refractivity: 62.7538 cm^3
• Polarizability: 24.748465 Å^3
• Polar Surface Area: 12.03 Å^2