2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol

C13H19NO2 — CID 115032728

IUPAC2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
SMILESCN1CCC(c2cccc(OCCO)c2)C1
InChIInChI=1S/C13H19NO2/c1-14-6-5-12(10-14)11-3-2-4-13(9-11)16-8-7-15/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeyXCRGZEXKEMZSRM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds4

About 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol

2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol (PubChem CID 115032728) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
PubChem CID115032728
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
SMILESCN1CCC(c2cccc(OCCO)c2)C1
InChIInChI=1S/C13H19NO2/c1-14-6-5-12(10-14)11-3-2-4-13(9-11)16-8-7-15/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeyXCRGZEXKEMZSRM-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol?
The IUPAC name of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol (CID 115032728) is 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol is CN1CCC(c2cccc(OCCO)c2)C1.
What is the InChIKey of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol?
The InChIKey is XCRGZEXKEMZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-6-5-12(10-14)11-3-2-4-13(9-11)16-8-7-15/h2-4,9,12,15H,5-8,10H2,1H3.
What are the key properties of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol?
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol is sourced from PubChem (CID 115032728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).