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

C16H18BrFN2O — CID 107954361

IUPAC[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2cccc(Br)c2F)ccc(C)c1C
InChIInChI=1S/C16H18BrFN2O/c1-9-7-8-12(16(21-3)10(9)2)15(20-19)11-5-4-6-13(17)14(11)18/h4-8,15,20H,19H2,1-3H3
InChIKeyJKSFNDMQEHVPDL-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.77
Rot. Bonds4

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

[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (PubChem CID 107954361) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
PubChem CID107954361
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2cccc(Br)c2F)ccc(C)c1C
InChIInChI=1S/C16H18BrFN2O/c1-9-7-8-12(16(21-3)10(9)2)15(20-19)11-5-4-6-13(17)14(11)18/h4-8,15,20H,19H2,1-3H3
InChIKeyJKSFNDMQEHVPDL-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

[(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436271
[(3-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436318
[(2-bromo-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 107986232
[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 107954307
[(2-bromo-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436225
[(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-bromophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435826
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 106649323
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
[(2-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329304

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (CID 107954361) is [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is COc1c(C(NN)c2cccc(Br)c2F)ccc(C)c1C.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is JKSFNDMQEHVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-9-7-8-12(16(21-3)10(9)2)15(20-19)11-5-4-6-13(17)14(11)18/h4-8,15,20H,19H2,1-3H3.
What are the key properties of [(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-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)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 107954361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).