1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine

C16H25NO2 — CID 2262095

IUPAC1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine
SMILESCCOc1ccccc1OCCCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-2-18-15-9-3-4-10-16(15)19-14-8-7-13-17-11-5-6-12-17/h3-4,9-10H,2,5-8,11-14H2,1H3
InChIKeyGAFQWYQDGOPLCF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.34
Rot. Bonds8

About 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine

1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine (PubChem CID 2262095) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine
PubChem CID2262095
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine
SMILESCCOc1ccccc1OCCCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-2-18-15-9-3-4-10-16(15)19-14-8-7-13-17-11-5-6-12-17/h3-4,9-10H,2,5-8,11-14H2,1H3
InChIKeyGAFQWYQDGOPLCF-UHFFFAOYSA-N
XLogP3.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-[4-(2-ethoxyphenoxy)butyl]pyrrolidine?
The IUPAC name of 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine (CID 2262095) is 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine.
What is the SMILES notation for 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine?
The canonical SMILES for 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine is CCOc1ccccc1OCCCCN1CCCC1.
What is the InChIKey of 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine?
The InChIKey is GAFQWYQDGOPLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-18-15-9-3-4-10-16(15)19-14-8-7-13-17-11-5-6-12-17/h3-4,9-10H,2,5-8,11-14H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine?
1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenoxy)butyl]pyrrolidine is sourced from PubChem (CID 2262095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).