[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine

C16H18BrFN2O — CID 107954307

IUPAC[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
SMILESCOc1cc(C)c(C(NN)c2cccc(Br)c2F)cc1C
InChIInChI=1S/C16H18BrFN2O/c1-9-8-14(21-3)10(2)7-12(9)16(20-19)11-5-4-6-13(17)15(11)18/h4-8,16,20H,19H2,1-3H3
InChIKeyIWDXASISUDYPFW-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.77
Rot. Bonds4

About [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine

[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine (PubChem CID 107954307) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
PubChem CID107954307
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
SMILESCOc1cc(C)c(C(NN)c2cccc(Br)c2F)cc1C
InChIInChI=1S/C16H18BrFN2O/c1-9-8-14(21-3)10(2)7-12(9)16(20-19)11-5-4-6-13(17)15(11)18/h4-8,16,20H,19H2,1-3H3
InChIKeyIWDXASISUDYPFW-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.77
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-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 107954361
[(3-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106649927
[(2-chloro-6-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105332922
[(2-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329304
[(3-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329294
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 106649323
[(2,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105305140
[(3-bromo-2-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103876
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
[(3-bromo-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 107954370
[(3-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105257541
[(5-bromo-2-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105267904

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine (CID 107954307) is [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine is COc1cc(C)c(C(NN)c2cccc(Br)c2F)cc1C.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is IWDXASISUDYPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-9-8-14(21-3)10(2)7-12(9)16(20-19)11-5-4-6-13(17)15(11)18/h4-8,16,20H,19H2,1-3H3.
What are the key properties of [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 107954307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).