1-[2-(2-bromophenoxy)ethyl]pyrrolidine

C12H16BrNO — CID 867317

IUPAC1-[2-(2-bromophenoxy)ethyl]pyrrolidine
SMILESBrc1ccccc1OCCN1CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2
InChIKeyCZEVXWRLFDSOMA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-(2-bromophenoxy)ethyl]pyrrolidine

1-[2-(2-bromophenoxy)ethyl]pyrrolidine (PubChem CID 867317) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)ethyl]pyrrolidine
PubChem CID867317
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[2-(2-bromophenoxy)ethyl]pyrrolidine
SMILESBrc1ccccc1OCCN1CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2
InChIKeyCZEVXWRLFDSOMA-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bromophenoxy)ethyl]pyrrolidine 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 1-[2-(2-bromophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-bromophenoxy)ethyl]pyrrolidine (CID 867317) is 1-[2-(2-bromophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-bromophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-bromophenoxy)ethyl]pyrrolidine is Brc1ccccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(2-bromophenoxy)ethyl]pyrrolidine?
The InChIKey is CZEVXWRLFDSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 1-[2-(2-bromophenoxy)ethyl]pyrrolidine?
1-[2-(2-bromophenoxy)ethyl]pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 867317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).