[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine

C15H17BrN2O2 — CID 105208713

IUPAC[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(OC)c1C(NN)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-19-12-8-5-9-13(20-2)14(12)15(18-17)10-6-3-4-7-11(10)16/h3-9,15,18H,17H2,1-2H3
InChIKeyNGXGMNCXFMUUPU-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.02
Rot. Bonds5

About [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine

[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine (PubChem CID 105208713) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
PubChem CID105208713
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(OC)c1C(NN)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-19-12-8-5-9-13(20-2)14(12)15(18-17)10-6-3-4-7-11(10)16/h3-9,15,18H,17H2,1-2H3
InChIKeyNGXGMNCXFMUUPU-UHFFFAOYSA-N
XLogP3.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine (CID 105208713) is [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine is COc1cccc(OC)c1C(NN)c1ccccc1Br.
What is the InChIKey of [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine?
The InChIKey is NGXGMNCXFMUUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-12-8-5-9-13(20-2)14(12)15(18-17)10-6-3-4-7-11(10)16/h3-9,15,18H,17H2,1-2H3.
What are the key properties of [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine?
[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105208713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).