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

C16H18BrClN2O — CID 105309533

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cccc(C)c2Cl)c1
InChIInChI=1S/C16H18BrClN2O/c1-10-4-3-5-13(16(10)18)15(20-19)9-11-8-12(21-2)6-7-14(11)17/h3-8,15,20H,9,19H2,1-2H3
InChIKeyQNCKJVGVLJOGPR-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.17
Rot. Bonds5

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

[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine (PubChem CID 105309533) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
PubChem CID105309533
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2cccc(C)c2Cl)c1
InChIInChI=1S/C16H18BrClN2O/c1-10-4-3-5-13(16(10)18)15(20-19)9-11-8-12(21-2)6-7-14(11)17/h3-8,15,20H,9,19H2,1-2H3
InChIKeyQNCKJVGVLJOGPR-UHFFFAOYSA-N
XLogP4.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.17
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-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
[1-(2-bromo-5-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312937
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215387
[2-(2-bromo-5-methoxyphenyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105309449
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247
[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105309443
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105309446
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
[1-(2-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292752

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine (CID 105309533) is [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine is COc1ccc(Br)c(CC(NN)c2cccc(C)c2Cl)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The InChIKey is QNCKJVGVLJOGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-10-4-3-5-13(16(10)18)15(20-19)9-11-8-12(21-2)6-7-14(11)17/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine has a molecular weight of 369.69 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105309533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).