2-(1-benzylpyrrolidin-3-yl)ethanol

C13H19NO — CID 3390824

IUPAC2-(1-benzylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-9-7-13-6-8-14(11-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKeyKVOKJZAQCLKPGS-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds4

About 2-(1-benzylpyrrolidin-3-yl)ethanol

2-(1-benzylpyrrolidin-3-yl)ethanol (PubChem CID 3390824) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)ethanol
PubChem CID3390824
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(1-benzylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-9-7-13-6-8-14(11-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKeyKVOKJZAQCLKPGS-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzylpyrrolidin-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)ethanol (CID 3390824) is 2-(1-benzylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)ethanol is OCCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)ethanol?
The InChIKey is KVOKJZAQCLKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-9-7-13-6-8-14(11-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)ethanol?
2-(1-benzylpyrrolidin-3-yl)ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 3390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).