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

C15H23BrN2O2 — CID 105272266

IUPAC[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C(C)C)C(Cc1cc(Br)cc2c1OCC2)NN
InChIInChI=1S/C15H23BrN2O2/c1-9(2)14(19-3)13(18-17)8-11-7-12(16)6-10-4-5-20-15(10)11/h6-7,9,13-14,18H,4-5,8,17H2,1-3H3
InChIKeyLGHSHKFBYNJKJB-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.43
Rot. Bonds6

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

[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 105272266) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID105272266
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C(C)C)C(Cc1cc(Br)cc2c1OCC2)NN
InChIInChI=1S/C15H23BrN2O2/c1-9(2)14(19-3)13(18-17)8-11-7-12(16)6-10-4-5-20-15(10)11/h6-7,9,13-14,18H,4-5,8,17H2,1-3H3
InChIKeyLGHSHKFBYNJKJB-UHFFFAOYSA-N
XLogP2.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715786
[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
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
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)pent-4-en-2-ylhydrazine
CID 105269841
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233707
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105332489
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105178495
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine (CID 105272266) is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine is COC(C(C)C)C(Cc1cc(Br)cc2c1OCC2)NN.
What is the InChIKey of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is LGHSHKFBYNJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-9(2)14(19-3)13(18-17)8-11-7-12(16)6-10-4-5-20-15(10)11/h6-7,9,13-14,18H,4-5,8,17H2,1-3H3.
What are the key properties of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 343.27 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105272266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).