[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine

C12H15BrN2O — CID 107986221

IUPAC[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2=CCCO2)c1Br
InChIInChI=1S/C12H15BrN2O/c1-8-4-2-5-9(11(8)13)12(15-14)10-6-3-7-16-10/h2,4-6,12,15H,3,7,14H2,1H3
InChIKeyHYOCCUNIPQQBST-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.57
Rot. Bonds3

About [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine (PubChem CID 107986221) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
PubChem CID107986221
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2=CCCO2)c1Br
InChIInChI=1S/C12H15BrN2O/c1-8-4-2-5-9(11(8)13)12(15-14)10-6-3-7-16-10/h2,4-6,12,15H,3,7,14H2,1H3
InChIKeyHYOCCUNIPQQBST-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.57
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

2-[2,3-dihydrofuran-5-yl(hydrazinyl)methyl]aniline
CID 102654162
[2,3-dihydrofuran-5-yl-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 102654403
[(5-bromo-4-methylthiophen-2-yl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654369
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]hydrazine
CID 102654121
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[2,3-dihydrofuran-5-yl(thiophen-2-yl)methyl]hydrazine
CID 102654047
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 107986010
[(5-bromo-2-pyridinyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654319

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine (CID 107986221) is [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine is Cc1cccc(C(NN)C2=CCCO2)c1Br.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine?
The InChIKey is HYOCCUNIPQQBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-4-2-5-9(11(8)13)12(15-14)10-6-3-7-16-10/h2,4-6,12,15H,3,7,14H2,1H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine has a molecular weight of 283.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 107986221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).