1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C13H18BrGeNO3 — CID 16687964

IUPAC1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESBrc1ccccc1C[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C13H18BrGeNO3/c14-13-4-2-1-3-12(13)11-15-17-8-5-16(6-9-18-15)7-10-19-15/h1-4H,5-11H2
InChIKeyPWXJPUWQOMZHCV-UHFFFAOYSA-N
MW388.81 g/mol
LogP1.85
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 16687964) has the molecular formula C13H18BrGeNO3 and a molecular weight of 388.81 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID16687964
Molecular FormulaC13H18BrGeNO3
Molecular Weight388.81 g/mol
Exact Mass388.97
IUPAC Name1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESBrc1ccccc1C[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C13H18BrGeNO3/c14-13-4-2-1-3-12(13)11-15-17-8-5-16(6-9-18-15)7-10-19-15/h1-4H,5-11H2
InChIKeyPWXJPUWQOMZHCV-UHFFFAOYSA-N
XLogP1.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 8717390
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CID 2756954
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
1-bromo-2-(methylsulfanylmethyl)benzene
CID 4108138
1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
CID 101454658
N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine
CID 102651472
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
CID 23278680
3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
CID 83825905
1-[(2-bromophenyl)methyl]diazinane
CID 130961372
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 16687964) is 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is Brc1ccccc1C[Ge]12OCCN(CCO1)CCO2.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is PWXJPUWQOMZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrGeNO3/c14-13-4-2-1-3-12(13)11-15-17-8-5-16(6-9-18-15)7-10-19-15/h1-4H,5-11H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 388.81 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 16687964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).