[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine

C16H18BrFN2O — CID 105203976

IUPAC[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-10-7-12(4-5-14(10)18)15(20-19)9-11-3-6-16(21-2)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3
InChIKeyZEAGVZYKZWWYIM-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.65
Rot. Bonds5

About [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine

[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine (PubChem CID 105203976) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
PubChem CID105203976
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ccc(F)c(C)c2)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-10-7-12(4-5-14(10)18)15(20-19)9-11-3-6-16(21-2)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3
InChIKeyZEAGVZYKZWWYIM-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.65
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-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288951
[1-(3-bromo-4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105260966
[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340895
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[2-(3-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105290439
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794039

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine (CID 105203976) is [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine is COc1ccc(CC(NN)c2ccc(F)c(C)c2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The InChIKey is ZEAGVZYKZWWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10-7-12(4-5-14(10)18)15(20-19)9-11-3-6-16(21-2)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105203976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).