3-[2-(4-bromophenoxy)ethoxy]pyrrolidine

C12H16BrNO2 — CID 62327569

IUPAC3-[2-(4-bromophenoxy)ethoxy]pyrrolidine
SMILESBrc1ccc(OCCOC2CCNC2)cc1
InChIInChI=1S/C12H16BrNO2/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12,14H,5-9H2
InChIKeyHTPWTDRYUQSHQI-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.21
Rot. Bonds5

About 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine

3-[2-(4-bromophenoxy)ethoxy]pyrrolidine (PubChem CID 62327569) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)ethoxy]pyrrolidine
PubChem CID62327569
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-[2-(4-bromophenoxy)ethoxy]pyrrolidine
SMILESBrc1ccc(OCCOC2CCNC2)cc1
InChIInChI=1S/C12H16BrNO2/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12,14H,5-9H2
InChIKeyHTPWTDRYUQSHQI-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.21
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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Related Compounds

4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
3-[2-(4-bromophenoxy)ethoxy]oxolane
CID 63559292
3-(4-bromophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237963
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
(3R)-3-(2-propoxyethoxy)pyrrolidine
CID 86322695
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
3-(2-thiophen-2-ylethoxy)pyrrolidine
CID 62327416
1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
CID 55192995
3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
CID 115070535
5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424621
5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide
CID 141306174
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine?
The IUPAC name of 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine (CID 62327569) is 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine.
What is the SMILES notation for 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine?
The canonical SMILES for 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine is Brc1ccc(OCCOC2CCNC2)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine?
The InChIKey is HTPWTDRYUQSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12,14H,5-9H2.
What are the key properties of 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine?
3-[2-(4-bromophenoxy)ethoxy]pyrrolidine has a molecular weight of 286.17 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)ethoxy]pyrrolidine is sourced from PubChem (CID 62327569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).