dimethyl({[4-(pyrrolidin-2-yl)phenyl]methyl})amine

• ChemBase ID: 306581
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1C(c2ccc(CN(C)C)cc2)CCC1
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCN1)C
• InChI: InChI=1S/C13H20N2/c1-15(2)10-11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,13-14H,3-4,9-10H2,1-2H3
• InChIKey: LNCKQUXKLQJFIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[4-(pyrrolidin-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[4-(pyrrolidin-2-yl)phenyl]methyl})amine
• Synonyms: N,N-dimethyl-1-(4-pyrrolidin-2-ylphenyl)methanamine

Database IDs

• MDL Number: MFCD09864209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.425953
• LogD (pH = 7.4): -2.4804382
• Log P: 1.938556
• Molar Refractivity: 65.0599 cm^3
• Polarizability: 25.59466 Å^3
• Polar Surface Area: 15.27 Å^2