tert-butyl({[4-(2-methoxyethoxy)phenyl]methyl})amine

• ChemBase ID: 29004
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: N(C(C)(C)C)Cc1ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)CNC(C)(C)C
• InChI: InChI=1S/C14H23NO2/c1-14(2,3)15-11-12-5-7-13(8-6-12)17-10-9-16-4/h5-8,15H,9-11H2,1-4H3
• InChIKey: CYKWTOXTWITGRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl({[4-(2-methoxyethoxy)phenyl]methyl})amine
• IUPAC Traditional name: tert-butyl({[4-(2-methoxyethoxy)phenyl]methyl})amine
• Synonyms: N-[4-(2-Methoxyethoxy)benzyl]-2-methyl-2-propanamine

Database IDs

• MDL Number: MFCD10687658
• PubChem SID: 160992311
• PubChem CID: 28308174

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.82893366
• LogD (pH = 7.4): -0.0105712665
• Log P: 2.3809075
• Molar Refractivity: 70.6183 cm^3
• Polarizability: 27.96024 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false