[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine

C16H18BrFN2O — CID 106794039

IUPAC[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
SMILESCOc1cc(C)ccc1C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C16H18BrFN2O/c1-10-3-5-12(16(7-10)21-2)15(20-19)9-11-4-6-14(18)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3
InChIKeyBDCUAYHAKAXSQL-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.65
Rot. Bonds5

About [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine

[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine (PubChem CID 106794039) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
PubChem CID106794039
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
SMILESCOc1cc(C)ccc1C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C16H18BrFN2O/c1-10-3-5-12(16(7-10)21-2)15(20-19)9-11-4-6-14(18)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3
InChIKeyBDCUAYHAKAXSQL-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-(4-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 107895417
[2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106793855
[2-(2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794033
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517
[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 114019518
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
[1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290064
2-(4-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 107885300
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
[1-(4-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105217864
[1-(2-methoxy-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 106793951

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine (CID 106794039) is [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine is COc1cc(C)ccc1C(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine?
The InChIKey is BDCUAYHAKAXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-10-3-5-12(16(7-10)21-2)15(20-19)9-11-4-6-14(18)13(17)8-11/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-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-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 106794039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).