2-ethyl-2-(3-methoxyphenyl)pyrrolidine

• ChemBase ID: 84739
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1C(c2cc(ccc2)OC)(CC)CCC1
• Canonical SMILES: CCC1(CCCN1)c1cccc(c1)OC
• InChI: InChI=1S/C13H19NO/c1-3-13(8-5-9-14-13)11-6-4-7-12(10-11)15-2/h4,6-7,10,14H,3,5,8-9H2,1-2H3
• InChIKey: QVMWXRFZJTVMSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2-(3-methoxyphenyl)pyrrolidine
• IUPAC Traditional name: 2-ethyl-2-(3-methoxyphenyl)pyrrolidine
• Synonyms: 2-Ethyl-2-(3-methoxyphenyl)pyrrolidine

Database IDs

• MDL Number: MFCD01314146
• PubChem SID: 162071855
• PubChem CID: 22046092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5951744
• LogD (pH = 7.4): -0.34836337
• Log P: 2.642587
• Molar Refractivity: 62.1426 cm^3
• Polarizability: 24.711536 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true