2-(5-bromo-2-ethoxyphenyl)pyrrolidine

C12H16BrNO — CID 17389719

IUPAC2-(5-bromo-2-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc(Br)cc1C1CCCN1
InChIInChI=1S/C12H16BrNO/c1-2-15-12-6-5-9(13)8-10(12)11-4-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChIKeyJYHAUCNMSQRTNP-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-bromo-2-ethoxyphenyl)pyrrolidine

2-(5-bromo-2-ethoxyphenyl)pyrrolidine (PubChem CID 17389719) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(5-bromo-2-ethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-2-ethoxyphenyl)pyrrolidine
PubChem CID17389719
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(5-bromo-2-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc(Br)cc1C1CCCN1
InChIInChI=1S/C12H16BrNO/c1-2-15-12-6-5-9(13)8-10(12)11-4-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChIKeyJYHAUCNMSQRTNP-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(5-bromo-2-ethoxyphenyl)pyrrolidine (CID 17389719) is 2-(5-bromo-2-ethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-bromo-2-ethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(5-bromo-2-ethoxyphenyl)pyrrolidine is CCOc1ccc(Br)cc1C1CCCN1.
What is the InChIKey of 2-(5-bromo-2-ethoxyphenyl)pyrrolidine?
The InChIKey is JYHAUCNMSQRTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-15-12-6-5-9(13)8-10(12)11-4-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3.
What are the key properties of 2-(5-bromo-2-ethoxyphenyl)pyrrolidine?
2-(5-bromo-2-ethoxyphenyl)pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethoxyphenyl)pyrrolidine is sourced from PubChem (CID 17389719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).