[3-(4-tert-butylphenyl)propyl](methyl)amine

• ChemBase ID: 808761
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: N(C)CCCc1ccc(cc1)C(C)(C)C
• Canonical SMILES: CNCCCc1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C14H23N/c1-14(2,3)13-9-7-12(8-10-13)6-5-11-15-4/h7-10,15H,5-6,11H2,1-4H3
• InChIKey: HGBOJKQUNCORFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-tert-butylphenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(4-tert-butylphenyl)propyl](methyl)amine
• Synonyms: [3-(4-TERT-BUTYL-PHENYL)-PROPYL]-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.58014274
• LogD (pH = 7.4): 1.0831753
• Log P: 3.8098807
• Molar Refractivity: 67.3279 cm^3
• Polarizability: 26.515224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%