1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol

C14H21NO2 — CID 13080

IUPAC1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol
SMILESOC(COCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyGISQOONCPYNURT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds6

About 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol

1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol (PubChem CID 13080) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol
PubChem CID13080
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol
SMILESOC(COCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyGISQOONCPYNURT-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol?
The IUPAC name of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol (CID 13080) is 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol.
What is the SMILES notation for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol?
The canonical SMILES for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol is OC(COCCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol?
The InChIKey is GISQOONCPYNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2.
What are the key properties of 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol?
1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol is sourced from PubChem (CID 13080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).