tert-butyl[2-(2-methoxyphenoxy)propyl]amine

• ChemBase ID: 28999
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: c1(OC(CNC(C)(C)C)C)c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC(CNC(C)(C)C)C
• InChI: InChI=1S/C14H23NO2/c1-11(10-15-14(2,3)4)17-13-9-7-6-8-12(13)16-5/h6-9,11,15H,10H2,1-5H3
• InChIKey: HHDLYSFZKOAIEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[2-(2-methoxyphenoxy)propyl]amine
• IUPAC Traditional name: tert-butyl[2-(2-methoxyphenoxy)propyl]amine
• Synonyms: N-(tert-Butyl)-2-(2-methoxyphenoxy)-1-propanamine

Database IDs

• MDL Number: MFCD10687654
• PubChem SID: 160992306
• PubChem CID: 46736192

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.44746602
• LogD (pH = 7.4): 0.35223427
• Log P: 2.7640345
• Molar Refractivity: 69.9332 cm^3
• Polarizability: 27.94972 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false