[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

C16H18ClFN2O — CID 105293076

IUPAC[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2cc(Cl)ccc2C)cc1F
InChIInChI=1S/C16H18ClFN2O/c1-10-3-5-12(17)9-13(10)15(20-19)8-11-4-6-16(21-2)14(18)7-11/h3-7,9,15,20H,8,19H2,1-2H3
InChIKeyLAALVIQATLGPLL-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.54
Rot. Bonds5

About [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine

[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (PubChem CID 105293076) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
PubChem CID105293076
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2cc(Cl)ccc2C)cc1F
InChIInChI=1S/C16H18ClFN2O/c1-10-3-5-12(17)9-13(10)15(20-19)8-11-4-6-16(21-2)14(18)7-11/h3-7,9,15,20H,8,19H2,1-2H3
InChIKeyLAALVIQATLGPLL-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.54
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-(5-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105280097
[1-(4-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105217864
[2-(5-chloro-2-methoxyphenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297654
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129
[1-(5-bromo-2-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105292972
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)ethyl]hydrazine
CID 105195086
[2-(4-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 107895417
[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261518
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
[1-(5-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317616

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine (CID 105293076) is [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is COc1ccc(CC(NN)c2cc(Cl)ccc2C)cc1F.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is LAALVIQATLGPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-10-3-5-12(17)9-13(10)15(20-19)8-11-4-6-16(21-2)14(18)7-11/h3-7,9,15,20H,8,19H2,1-2H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine?
[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 308.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105293076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).