methyl[1-phenyl-3-(pyrrolidin-1-yl)propyl]amine

• ChemBase ID: 799854
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N(C(CCN1CCCC1)c1ccccc1)C
• Canonical SMILES: CNC(c1ccccc1)CCN1CCCC1
• InChI: InChI=1S/C14H22N2/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16/h2-4,7-8,14-15H,5-6,9-12H2,1H3
• InChIKey: GYTHKSBOTQAYRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-phenyl-3-(pyrrolidin-1-yl)propyl]amine
• IUPAC Traditional name: methyl[1-phenyl-3-(pyrrolidin-1-yl)propyl]amine
• Synonyms: Methyl-(1-phenyl-3-pyrrolidin-1-yl-propyl)-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6927261
• LogD (pH = 7.4): -1.2840701
• Log P: 2.0757635
• Molar Refractivity: 69.4017 cm^3
• Polarizability: 27.446844 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%