[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine

C17H21BrN2O — CID 105329211

IUPAC[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2c(C)cccc2C)NN)cc1Br
InChIInChI=1S/C17H21BrN2O/c1-11-5-4-6-12(2)14(11)10-16(20-19)13-7-8-17(21-3)15(18)9-13/h4-9,16,20H,10,19H2,1-3H3
InChIKeyHKKQMUXIFMSXQO-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.82
Rot. Bonds5

About [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine

[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine (PubChem CID 105329211) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
PubChem CID105329211
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2c(C)cccc2C)NN)cc1Br
InChIInChI=1S/C17H21BrN2O/c1-11-5-4-6-12(2)14(11)10-16(20-19)13-7-8-17(21-3)15(18)9-13/h4-9,16,20H,10,19H2,1-3H3
InChIKeyHKKQMUXIFMSXQO-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.82
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-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[1-(3-bromo-4-fluorophenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105264141
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340895
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288951
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315855
[1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295115
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105317885
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine (CID 105329211) is [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine is COc1ccc(C(Cc2c(C)cccc2C)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
The InChIKey is HKKQMUXIFMSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11-5-4-6-12(2)14(11)10-16(20-19)13-7-8-17(21-3)15(18)9-13/h4-9,16,20H,10,19H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).