1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C17H30BrNO2Si2 — CID 14201979

IUPAC1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESCOc1cc(CC(C)N2[Si](C)(C)CC[Si]2(C)C)c(OC)cc1Br
InChIInChI=1S/C17H30BrNO2Si2/c1-13(19-22(4,5)8-9-23(19,6)7)10-14-11-17(21-3)15(18)12-16(14)20-2/h11-13H,8-10H2,1-7H3
InChIKeyLWYZNAYGIHWNTC-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.12
Rot. Bonds5

About 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 14201979) has the molecular formula C17H30BrNO2Si2 and a molecular weight of 416.51 g/mol. Its IUPAC name is 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID14201979
Molecular FormulaC17H30BrNO2Si2
Molecular Weight416.51 g/mol
Exact Mass415.10
IUPAC Name1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESCOc1cc(CC(C)N2[Si](C)(C)CC[Si]2(C)C)c(OC)cc1Br
InChIInChI=1S/C17H30BrNO2Si2/c1-13(19-22(4,5)8-9-23(19,6)7)10-14-11-17(21-3)15(18)12-16(14)20-2/h11-13H,8-10H2,1-7H3
InChIKeyLWYZNAYGIHWNTC-UHFFFAOYSA-N
XLogP5.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
CID 25271630
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
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1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
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1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
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3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
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CID 103706018
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
1-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419456
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
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1-bromo-5-ethyl-2,4-dimethoxybenzene
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1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 14201979) is 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is COc1cc(CC(C)N2[Si](C)(C)CC[Si]2(C)C)c(OC)cc1Br.
What is the InChIKey of 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is LWYZNAYGIHWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO2Si2/c1-13(19-22(4,5)8-9-23(19,6)7)10-14-11-17(21-3)15(18)12-16(14)20-2/h11-13H,8-10H2,1-7H3.
What are the key properties of 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 416.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 14201979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).