[(1-benzylpyrrolidin-3-yl)methyl](methyl)amine

• ChemBase ID: 284797
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CC(CC1)CNC)Cc1ccccc1
• Canonical SMILES: CNCC1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-14-9-13-7-8-15(11-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
• InChIKey: ZSYALYBRMVKYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-benzylpyrrolidin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-benzylpyrrolidin-3-yl)methyl](methyl)amine
• Synonyms: [(1-benzylpyrrolidin-3-yl)methyl](methyl)amine; 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 91189-05-8
• MDL Number: MFCD06411057
• PubChem SID: 180670328
• PubChem CID: 4660832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2655134
• LogD (pH = 7.4): -2.199563
• Log P: 1.6159896
• Molar Refractivity: 64.8753 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.388

Product Information

• Purity: 95%