[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine

C15H16BrIN2O — CID 105290205

IUPAC[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)c1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2O/c1-20-15-7-4-12(16)8-11(15)9-14(19-18)10-2-5-13(17)6-3-10/h2-8,14,19H,9,18H2,1H3
InChIKeyAJPSWENABBPGBU-UHFFFAOYSA-N
MW447.11 g/mol
LogP3.81
Rot. Bonds5

About [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine

[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine (PubChem CID 105290205) has the molecular formula C15H16BrIN2O and a molecular weight of 447.11 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
PubChem CID105290205
Molecular FormulaC15H16BrIN2O
Molecular Weight447.11 g/mol
Exact Mass445.95
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)c1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2O/c1-20-15-7-4-12(16)8-11(15)9-14(19-18)10-2-5-13(17)6-3-10/h2-8,14,19H,9,18H2,1H3
InChIKeyAJPSWENABBPGBU-UHFFFAOYSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.11
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
[2-(5-bromo-2-methoxyphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191716
[2-(5-bromo-2-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251172
[2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252760
[2-(5-bromo-2-methoxyphenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694227
[1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290206
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261563
[2-(5-chloro-2-methoxyphenyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979013
[2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105290134
[2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105290102

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine (CID 105290205) is [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine is COc1ccc(Br)cc1CC(NN)c1ccc(I)cc1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is AJPSWENABBPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrIN2O/c1-20-15-7-4-12(16)8-11(15)9-14(19-18)10-2-5-13(17)6-3-10/h2-8,14,19H,9,18H2,1H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 447.11 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105290205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).