[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine

C13H17BrN2O — CID 105305275

IUPAC[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
SMILESCC(C)(C)C(NN)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H17BrN2O/c1-13(2,3)12(16-15)10-7-8-5-4-6-9(14)11(8)17-10/h4-7,12,16H,15H2,1-3H3
InChIKeyUDBLNXZEFUHIOD-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.75
Rot. Bonds2

About [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine

[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine (PubChem CID 105305275) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
PubChem CID105305275
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
SMILESCC(C)(C)C(NN)c1cc2cccc(Br)c2o1
InChIInChI=1S/C13H17BrN2O/c1-13(2,3)12(16-15)10-7-8-5-4-6-9(14)11(8)17-10/h4-7,12,16H,15H2,1-3H3
InChIKeyUDBLNXZEFUHIOD-UHFFFAOYSA-N
XLogP3.75
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
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1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
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1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
CID 82625533
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
[1-(7-bromo-1-benzofuran-2-yl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295913
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine?
The IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine (CID 105305275) is [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine.
What is the SMILES notation for [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine?
The canonical SMILES for [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine is CC(C)(C)C(NN)c1cc2cccc(Br)c2o1.
What is the InChIKey of [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine?
The InChIKey is UDBLNXZEFUHIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-13(2,3)12(16-15)10-7-8-5-4-6-9(14)11(8)17-10/h4-7,12,16H,15H2,1-3H3.
What are the key properties of [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine?
[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine has a molecular weight of 297.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine is sourced from PubChem (CID 105305275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).