[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine

C16H15BrN2O — CID 105337744

IUPAC[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C16H15BrN2O/c1-10-6-7-12(8-13(10)17)16(19-18)15-9-11-4-2-3-5-14(11)20-15/h2-9,16,19H,18H2,1H3
InChIKeyWYJBFZLTUBOXDV-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.06
Rot. Bonds3

About [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine

[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine (PubChem CID 105337744) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine
PubChem CID105337744
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C16H15BrN2O/c1-10-6-7-12(8-13(10)17)16(19-18)15-9-11-4-2-3-5-14(11)20-15/h2-9,16,19H,18H2,1H3
InChIKeyWYJBFZLTUBOXDV-UHFFFAOYSA-N
XLogP4.06
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.06
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-benzofuran-2-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105337790
[(3-bromo-4-methylphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286011
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338351
[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338291
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
[1-benzofuran-2-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105192094
[(3-bromo-4-methylphenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327512
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516
[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105218310

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine (CID 105337744) is [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cc3ccccc3o2)cc1Br.
What is the InChIKey of [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine?
The InChIKey is WYJBFZLTUBOXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-6-7-12(8-13(10)17)16(19-18)15-9-11-4-2-3-5-14(11)20-15/h2-9,16,19H,18H2,1H3.
What are the key properties of [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine?
[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine has a molecular weight of 331.21 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105337744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).