3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine

C12H16BrNO — CID 83693943

IUPAC3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
SMILESCOc1ccc(Br)cc1C1(C)CCNC1
InChIInChI=1S/C12H16BrNO/c1-12(5-6-14-8-12)10-7-9(13)3-4-11(10)15-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyADKGVENZDHJLDK-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.71
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine

3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine (PubChem CID 83693943) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
PubChem CID83693943
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
SMILESCOc1ccc(Br)cc1C1(C)CCNC1
InChIInChI=1S/C12H16BrNO/c1-12(5-6-14-8-12)10-7-9(13)3-4-11(10)15-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyADKGVENZDHJLDK-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359
3-(2-methoxyphenyl)-3-methylpyrrolidine
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4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114719638
3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
CID 90993861
3-(3-bromo-4-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106950718
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine (CID 83693943) is 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine is COc1ccc(Br)cc1C1(C)CCNC1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine?
The InChIKey is ADKGVENZDHJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(5-6-14-8-12)10-7-9(13)3-4-11(10)15-2/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine?
3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 83693943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).