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

C15H21BrN2O2 — CID 105332489

IUPAC[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C15H21BrN2O2/c16-12-7-10-4-6-20-15(10)11(8-12)9-13(18-17)14-3-1-2-5-19-14/h7-8,13-14,18H,1-6,9,17H2
InChIKeyMKPJDNBOJBCQCG-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.33
Rot. Bonds4

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

[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine (PubChem CID 105332489) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
PubChem CID105332489
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cc2c1OCC2)C1CCCCO1
InChIInChI=1S/C15H21BrN2O2/c16-12-7-10-4-6-20-15(10)11(8-12)9-13(18-17)14-3-1-2-5-19-14/h7-8,13-14,18H,1-6,9,17H2
InChIKeyMKPJDNBOJBCQCG-UHFFFAOYSA-N
XLogP2.33
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.33
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

[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-(1,4-dioxan-2-yl)-N-methylethanamine
CID 105031757
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233707
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
[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)pent-4-en-2-ylhydrazine
CID 105269841
[2-(2-chloro-4-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 106868654
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 104756798
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-2-yl)methyl]ethanamine
CID 104541878

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine (CID 105332489) is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine is NNC(Cc1cc(Br)cc2c1OCC2)C1CCCCO1.
What is the InChIKey of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine?
The InChIKey is MKPJDNBOJBCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-12-7-10-4-6-20-15(10)11(8-12)9-13(18-17)14-3-1-2-5-19-14/h7-8,13-14,18H,1-6,9,17H2.
What are the key properties of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine?
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine has a molecular weight of 341.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105332489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).