[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

C15H14BrClN2O2 — CID 105261083

IUPAC[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14BrClN2O2/c16-11-7-9(1-3-12(11)17)15(19-18)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2
InChIKeyVVARKWFXIWEMCP-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.43
Rot. Bonds3

About [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 105261083) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID105261083
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14BrClN2O2/c16-11-7-9(1-3-12(11)17)15(19-18)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2
InChIKeyVVARKWFXIWEMCP-UHFFFAOYSA-N
XLogP3.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.43
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

[(3-bromo-4-chlorophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105261003
[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105398142
[(3-bromo-4-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654296
(3-bromo-4-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 115566324
[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105223458
[(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 105261121
[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105261045
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 105261083) is [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is NNC(c1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is VVARKWFXIWEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-11-7-9(1-3-12(11)17)15(19-18)10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8,15,19H,5-6,18H2.
What are the key properties of [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine has a molecular weight of 369.65 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105261083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).