methyl[(2S)-1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl]amine

• ChemBase ID: 799855
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N([C@@H](Cc1ccccc1)CN1CCCC1)C
• Canonical SMILES: CN[C@@H](Cc1ccccc1)CN1CCCC1
• InChI: InChI=1S/C14H22N2/c1-15-14(12-16-9-5-6-10-16)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3/t14-/m0/s1
• InChIKey: WDVNZOBYHPYZIT-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2S)-1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl]amine
• IUPAC Traditional name: methyl[(2S)-1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl]amine
• Synonyms: (S)-Methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5167327
• LogD (pH = 7.4): -0.28259355
• Log P: 2.3044648
• Molar Refractivity: 69.2913 cm^3
• Polarizability: 27.368893 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%