3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine

C16H24BrNO2 — CID 114800481

IUPAC3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
SMILESCCOc1ccccc1OCCN1CCC(CCBr)C1
InChIInChI=1S/C16H24BrNO2/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-10-8-14(13-18)7-9-17/h3-6,14H,2,7-13H2,1H3
InChIKeyUMONORZFOWPRGW-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.57
Rot. Bonds8

About 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine

3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine (PubChem CID 114800481) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
PubChem CID114800481
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
SMILESCCOc1ccccc1OCCN1CCC(CCBr)C1
InChIInChI=1S/C16H24BrNO2/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-10-8-14(13-18)7-9-17/h3-6,14H,2,7-13H2,1H3
InChIKeyUMONORZFOWPRGW-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
CID 114682320
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501023
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine (CID 114800481) is 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine is CCOc1ccccc1OCCN1CCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is UMONORZFOWPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-19-15-5-3-4-6-16(15)20-12-11-18-10-8-14(13-18)7-9-17/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine?
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 342.28 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 114800481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).