[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine

C17H21BrN2O — CID 105312956

IUPAC[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(C)c(C)cc2C)cc1Br
InChIInChI=1S/C17H21BrN2O/c1-10-7-12(3)14(8-11(10)2)17(20-19)13-5-6-16(21-4)15(18)9-13/h5-9,17,20H,19H2,1-4H3
InChIKeyJUBMODMLEZTFEI-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.94
Rot. Bonds4

About [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine (PubChem CID 105312956) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
PubChem CID105312956
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(C)c(C)cc2C)cc1Br
InChIInChI=1S/C17H21BrN2O/c1-10-7-12(3)14(8-11(10)2)17(20-19)13-5-6-16(21-4)15(18)9-13/h5-9,17,20H,19H2,1-4H3
InChIKeyJUBMODMLEZTFEI-UHFFFAOYSA-N
XLogP3.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.94
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

[(3-bromo-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302505
[(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516558
[(3-bromo-4-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105330905
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
[(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301110
[(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105328437
[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318789
[(3-bromo-4-methoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300768
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107986014
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623
[(3-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329294

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine (CID 105312956) is [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cc(C)c(C)cc2C)cc1Br.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The InChIKey is JUBMODMLEZTFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-10-7-12(3)14(8-11(10)2)17(20-19)13-5-6-16(21-4)15(18)9-13/h5-9,17,20H,19H2,1-4H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105312956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).