3-(2,4-dibromophenoxy)pyrrolidine

C10H11Br2NO — CID 53409181

IUPAC3-(2,4-dibromophenoxy)pyrrolidine
SMILESBrc1ccc(OC2CCNC2)c(Br)c1
InChIInChI=1S/C10H11Br2NO/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyVLVCUKPCHYAILC-UHFFFAOYSA-N
MW321.01 g/mol
LogP2.95
Rot. Bonds2

About 3-(2,4-dibromophenoxy)pyrrolidine

3-(2,4-dibromophenoxy)pyrrolidine (PubChem CID 53409181) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)pyrrolidine
PubChem CID53409181
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name3-(2,4-dibromophenoxy)pyrrolidine
SMILESBrc1ccc(OC2CCNC2)c(Br)c1
InChIInChI=1S/C10H11Br2NO/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyVLVCUKPCHYAILC-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
CID 86322012
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
3-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine;hydrochloride
CID 56830692
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)pyrrolidine?
The IUPAC name of 3-(2,4-dibromophenoxy)pyrrolidine (CID 53409181) is 3-(2,4-dibromophenoxy)pyrrolidine.
What is the SMILES notation for 3-(2,4-dibromophenoxy)pyrrolidine?
The canonical SMILES for 3-(2,4-dibromophenoxy)pyrrolidine is Brc1ccc(OC2CCNC2)c(Br)c1.
What is the InChIKey of 3-(2,4-dibromophenoxy)pyrrolidine?
The InChIKey is VLVCUKPCHYAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(2,4-dibromophenoxy)pyrrolidine?
3-(2,4-dibromophenoxy)pyrrolidine has a molecular weight of 321.01 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)pyrrolidine is sourced from PubChem (CID 53409181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).