1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine

C16H18Br2N2O2 — CID 169386351

IUPAC1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br
InChIInChI=1S/C16H18Br2N2O2/c1-3-22-16-13(21-2)9-11(14(17)15(16)18)10-19-20-12-7-5-4-6-8-12/h4-9,19-20H,3,10H2,1-2H3
InChIKeyTYFHCXVSGKRXEV-UHFFFAOYSA-N
MW430.14 g/mol
LogP4.74
Rot. Bonds7

About 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine

1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386351) has the molecular formula C16H18Br2N2O2 and a molecular weight of 430.14 g/mol. Its IUPAC name is 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386351
Molecular FormulaC16H18Br2N2O2
Molecular Weight430.14 g/mol
Exact Mass427.97
IUPAC Name1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br
InChIInChI=1S/C16H18Br2N2O2/c1-3-22-16-13(21-2)9-11(14(17)15(16)18)10-19-20-12-7-5-4-6-8-12/h4-9,19-20H,3,10H2,1-2H3
InChIKeyTYFHCXVSGKRXEV-UHFFFAOYSA-N
XLogP4.74
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169386352
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
1-[(2-ethoxy-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385910
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440
1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386277
1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384645
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine (CID 169386351) is 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine is CCOc1c(OC)cc(CNNc2ccccc2)c(Br)c1Br.
What is the InChIKey of 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is TYFHCXVSGKRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O2/c1-3-22-16-13(21-2)9-11(14(17)15(16)18)10-19-20-12-7-5-4-6-8-12/h4-9,19-20H,3,10H2,1-2H3.
What are the key properties of 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 430.14 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).