[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine

C17H27BrN2O — CID 105332536

IUPAC[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(Cc1cc(Br)cc2c1OCC2)NN)C(C)(C)C
InChIInChI=1S/C17H27BrN2O/c1-11(17(2,3)4)7-15(20-19)10-13-9-14(18)8-12-5-6-21-16(12)13/h8-9,11,15,20H,5-7,10,19H2,1-4H3
InChIKeyRGUVWFVFAHHUEI-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.83
Rot. Bonds5

About [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine

[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine (PubChem CID 105332536) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
PubChem CID105332536
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(Cc1cc(Br)cc2c1OCC2)NN)C(C)(C)C
InChIInChI=1S/C17H27BrN2O/c1-11(17(2,3)4)7-15(20-19)10-13-9-14(18)8-12-5-6-21-16(12)13/h8-9,11,15,20H,5-7,10,19H2,1-4H3
InChIKeyRGUVWFVFAHHUEI-UHFFFAOYSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.83
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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105332479
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
CID 116660829
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
(2S)-2-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,3-dimethylbutanamide
CID 104702531
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233707

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine (CID 105332536) is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine is CC(CC(Cc1cc(Br)cc2c1OCC2)NN)C(C)(C)C.
What is the InChIKey of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The InChIKey is RGUVWFVFAHHUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-11(17(2,3)4)7-15(20-19)10-13-9-14(18)8-12-5-6-21-16(12)13/h8-9,11,15,20H,5-7,10,19H2,1-4H3.
What are the key properties of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine has a molecular weight of 355.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105332536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).