1-methyl-2-phenylpyrrolidin-3-amine

• ChemBase ID: 243801
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(C(C(CC1)N)c1ccccc1)C
• Canonical SMILES: CN1CCC(C1c1ccccc1)N
• InChI: InChI=1S/C11H16N2/c1-13-8-7-10(12)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8,12H2,1H3
• InChIKey: DLENRPOBIBOYGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-phenylpyrrolidin-3-amine
• IUPAC Traditional name: 1-methyl-2-phenylpyrrolidin-3-amine
• Synonyms: 1-methyl-2-phenylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD19645166
• PubChem SID: 164299711
• PubChem CID: 64075623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2281027
• LogD (pH = 7.4): -1.024241
• Log P: 1.1256278
• Molar Refractivity: 54.7873 cm^3
• Polarizability: 21.905613 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.253

Product Information

• Purity: 95%