2-(1-benzylpyrrolidin-2-yl)propan-2-ol

• ChemBase ID: 241375
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: N1(C(C(O)(C)C)CCC1)Cc1ccccc1
• Canonical SMILES: CC(C1CCCN1Cc1ccccc1)(O)C
• InChI: InChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3
• InChIKey: FUNFYSOGTPDVRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzylpyrrolidin-2-yl)propan-2-ol
• IUPAC Traditional name: 2-(1-benzylpyrrolidin-2-yl)propan-2-ol
• Synonyms: 2-(1-benzylpyrrolidin-2-yl)propan-2-ol

Database IDs

• MDL Number: MFCD22421869
• PubChem SID: 164297285
• PubChem CID: 22278632

CALCULATED PROPERTIES

• Acid pKa: 14.7133465
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0733359
• LogD (pH = 7.4): -0.16939592
• Log P: 2.3872569
• Molar Refractivity: 67.1612 cm^3
• Polarizability: 26.501022 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.683

Product Information

• Purity: 95%