(2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine

• ChemBase ID: 275370
• Molecular Formular: C14H23NO
• Molecular Mass: 221.33852
• Monoisotopic Mass: 221.17796436
• SMILES: C(CNCCc1ccc(cc1)OC)(C)(C)C
• Canonical SMILES: COc1ccc(cc1)CCNCC(C)(C)C
• InChI: InChI=1S/C14H23NO/c1-14(2,3)11-15-10-9-12-5-7-13(16-4)8-6-12/h5-8,15H,9-11H2,1-4H3
• InChIKey: BBTDGWPVYMURHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine
• IUPAC Traditional name: (2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine
• Synonyms: (2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine

Database IDs

• MDL Number: MFCD14625026
• PubChem SID: 164331280
• PubChem CID: 54593654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.052867703
• LogD (pH = 7.4): 0.4974688
• Log P: 3.2848885
• Molar Refractivity: 68.6665 cm^3
• Polarizability: 27.220858 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.354

Product Information

• Purity: 95%