1-benzyl-3-methylpyrrolidin-3-amine

• ChemBase ID: 799755
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(CC(CC1)(N)C)Cc1ccccc1
• Canonical SMILES: CC1(N)CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H18N2/c1-12(13)7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6H,7-10,13H2,1H3
• InChIKey: GMZNKWUBDUKXRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-methylpyrrolidin-3-amine
• IUPAC Traditional name: 1-benzyl-3-methylpyrrolidin-3-amine
• Synonyms: 1-benzyl-3-methylpyrrolidin-3-amine

Database IDs

• CAS Number: 181114-76-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4089432
• LogD (pH = 7.4): -1.3294241
• Log P: 1.3464373
• Molar Refractivity: 59.7553 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%