2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol

C21H27NO — CID 174336287

IUPAC2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(Cc2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C21H27NO/c23-14-13-19-16-22-21(15-18-9-5-2-6-10-18)20(19)12-11-17-7-3-1-4-8-17/h1-10,19-23H,11-16H2
InChIKeyJELWPBAQKILPBI-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.45
Rot. Bonds7

About 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol

2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 174336287) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol
PubChem CID174336287
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(Cc2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C21H27NO/c23-14-13-19-16-22-21(15-18-9-5-2-6-10-18)20(19)12-11-17-7-3-1-4-8-17/h1-10,19-23H,11-16H2
InChIKeyJELWPBAQKILPBI-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol (CID 174336287) is 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol is OCCC1CNC(Cc2ccccc2)C1CCc1ccccc1.
What is the InChIKey of 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JELWPBAQKILPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-14-13-19-16-22-21(15-18-9-5-2-6-10-18)20(19)12-11-17-7-3-1-4-8-17/h1-10,19-23H,11-16H2.
What are the key properties of 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 309.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 174336287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).