(2S)-2-(diphenylmethyl)pyrrolidine hydrochloride

• ChemBase ID: 89319
• Molecular Formular: C17H20ClN
• Molecular Mass: 273.8004
• Monoisotopic Mass: 273.12842733
• SMILES: N1[C@@H](CCC1)C(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: C1CN[C@@H](C1)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C17H19N.ClH/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;/h1-6,8-11,16-18H,7,12-13H2;1H/t16-;/m0./s1
• InChIKey: KTGRJTGIWVDSKZ-NTISSMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(diphenylmethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: (2S)-2-(diphenylmethyl)pyrrolidine hydrochloride
• Synonyms: (2R)-(+)-2-Benzhydrylpyrrolidine hydrochloride; (2R)-(+)-2-(Diphenylmethyl)pyrrolidine hydrochloride

Database IDs

• PubChem SID: 162104694
• PubChem CID: 71300054

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.54428446
• LogD (pH = 7.4): 0.6608741
• Log P: 3.7845972
• Molar Refractivity: 75.8388 cm^3
• Polarizability: 29.953854 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon