[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine

C17H17BrN2O — CID 105284216

IUPAC[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C17H17BrN2O/c1-11-5-7-12(8-6-11)9-15(20-19)16-10-13-3-2-4-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyPWKFUUYUXNAVSD-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.25
Rot. Bonds4

About [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine

[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine (PubChem CID 105284216) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
PubChem CID105284216
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C17H17BrN2O/c1-11-5-7-12(8-6-11)9-15(20-19)16-10-13-3-2-4-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3
InChIKeyPWKFUUYUXNAVSD-UHFFFAOYSA-N
XLogP4.25
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.25
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-(7-bromo-1-benzofuran-2-yl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295913
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305275
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
[2-(4-bromophenyl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105195534
[1-(2-bromo-3-methylphenyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 107985933
[1-(2-bromo-4-methylphenyl)-2-(4-bromophenyl)ethyl]hydrazine
CID 105284383

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine (CID 105284216) is [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine is Cc1ccc(CC(NN)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine?
The InChIKey is PWKFUUYUXNAVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-5-7-12(8-6-11)9-15(20-19)16-10-13-3-2-4-14(18)17(13)21-16/h2-8,10,15,20H,9,19H2,1H3.
What are the key properties of [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine?
[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine has a molecular weight of 345.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105284216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).