(1-benzyl-4-methylpyrrolidin-3-yl)methanamine

• ChemBase ID: 799752
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C(N)C1CN(CC1C)Cc1ccccc1
• Canonical SMILES: NCC1CN(CC1C)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
• InChIKey: GLFBPDDMMVIVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-4-methylpyrrolidin-3-yl)methanamine
• IUPAC Traditional name: (1-benzyl-4-methylpyrrolidin-3-yl)methanamine
• Synonyms: (1-benzyl-4-methylpyrrolidin-3-yl)methanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.629958
• LogD (pH = 7.4): -2.6381485
• Log P: 1.548382
• Molar Refractivity: 64.5723 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%