N-methyl-N-phenylpyrrolidin-3-amine

• ChemBase ID: 247800
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N(c1ccccc1)(C1CCNC1)C
• Canonical SMILES: CN(c1ccccc1)C1CNCC1
• InChI: InChI=1S/C11H16N2/c1-13(11-7-8-12-9-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
• InChIKey: JIIDHZWUCLLFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-phenylpyrrolidin-3-amine
• IUPAC Traditional name: N-methyl-N-phenylpyrrolidin-3-amine
• Synonyms: N-methyl-N-phenylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD12406997
• PubChem SID: 164303710
• PubChem CID: 53956968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5688988
• LogD (pH = 7.4): -1.1773661
• Log P: 1.6650882
• Molar Refractivity: 55.7776 cm^3
• Polarizability: 21.505247 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.025

Product Information

• Purity: 95%