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

C17H19BrN2O — CID 105194509

IUPAC[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2cc(Br)cc3c2OCC3)NN)cc1
InChIInChI=1S/C17H19BrN2O/c1-11-2-4-12(5-3-11)16(20-19)10-14-9-15(18)8-13-6-7-21-17(13)14/h2-5,8-9,16,20H,6-7,10,19H2,1H3
InChIKeySFCJSXFURZXZSR-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.44
Rot. Bonds4

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

[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine (PubChem CID 105194509) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
PubChem CID105194509
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2cc(Br)cc3c2OCC3)NN)cc1
InChIInChI=1S/C17H19BrN2O/c1-11-2-4-12(5-3-11)16(20-19)10-14-9-15(18)8-13-6-7-21-17(13)14/h2-5,8-9,16,20H,6-7,10,19H2,1H3
InChIKeySFCJSXFURZXZSR-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.44
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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219279
[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-chloro-3-methylphenyl)ethanol
CID 115830952
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878133
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105332489

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine (CID 105194509) is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine is Cc1ccc(C(Cc2cc(Br)cc3c2OCC3)NN)cc1.
What is the InChIKey of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine?
The InChIKey is SFCJSXFURZXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-2-4-12(5-3-11)16(20-19)10-14-9-15(18)8-13-6-7-21-17(13)14/h2-5,8-9,16,20H,6-7,10,19H2,1H3.
What are the key properties of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine?
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine has a molecular weight of 347.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105194509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).