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

C16H18BrFN2O — CID 105340895

IUPAC[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2ccc(F)cc2C)NN)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-10-7-13(18)5-3-11(10)9-15(20-19)12-4-6-16(21-2)14(17)8-12/h3-8,15,20H,9,19H2,1-2H3
InChIKeyCIEJKGRJPVXCCA-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.65
Rot. Bonds5

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

[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (PubChem CID 105340895) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
PubChem CID105340895
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2ccc(F)cc2C)NN)cc1Br
InChIInChI=1S/C16H18BrFN2O/c1-10-7-13(18)5-3-11(10)9-15(20-19)12-4-6-16(21-2)14(17)8-12/h3-8,15,20H,9,19H2,1-2H3
InChIKeyCIEJKGRJPVXCCA-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

[1-(3-bromo-4-methoxyphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288951
[1-(4-fluoro-3-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340825
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[2-(2-chloro-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 102623414
[1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295115
[(3-bromo-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302505
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
[2-(2-bromo-4-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204048
[2-(4-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200828
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (CID 105340895) is [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is COc1ccc(C(Cc2ccc(F)cc2C)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The InChIKey is CIEJKGRJPVXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10-7-13(18)5-3-11(10)9-15(20-19)12-4-6-16(21-2)14(17)8-12/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-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 [1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105340895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).