[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]dimethylamine

• ChemBase ID: 290172
• Molecular Formular: C15H25NO
• Molecular Mass: 235.3651
• Monoisotopic Mass: 235.19361443
• SMILES: CC[C@@H](c1cccc(OC)c1)[C@@H](C)CN(C)C
• Canonical SMILES: CC[C@@H](c1cccc(c1)OC)[C@H](CN(C)C)C
• InChI: InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12-,15+/m0/s1
• InChIKey: JKVBTSJLQLSTHJ-SWLSCSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]dimethylamine
• IUPAC Traditional name: [(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]dimethylamine
• Synonyms: (2R,3R)-3-(3-Methoxyphenyl)-N,N,2-trimethylpentan-1-amine

Database IDs

• CAS Number: 175591-22-7
• PubChem SID: 180675703
• PubChem CID: 11253328

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.14783049
• LogD (pH = 7.4): 1.2072544
• Log P: 3.5867617
• Molar Refractivity: 74.0411 cm^3
• Polarizability: 29.067625 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%