N-methyl-N-(2-phenylethyl)pyrrolidin-3-amine

• ChemBase ID: 235982
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N(CCc1ccccc1)(C1CCNC1)C
• Canonical SMILES: CN(C1CNCC1)CCc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-15(13-7-9-14-11-13)10-8-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
• InChIKey: WUWSOFIEGIELJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)pyrrolidin-3-amine
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)pyrrolidin-3-amine
• Synonyms: N-methyl-N-(2-phenylethyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD18325516
• PubChem SID: 164291892
• PubChem CID: 63298366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6753596
• LogD (pH = 7.4): -1.2232616
• Log P: 1.7871022
• Molar Refractivity: 64.6467 cm^3
• Polarizability: 25.522182 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.12

Product Information

• Purity: 95%