[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine

C12H18BrClN2O — CID 105260868

IUPAC[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H18BrClN2O/c1-8(5-6-17-2)12(16-15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyNANKGLHXPZURDT-UHFFFAOYSA-N
MW321.65 g/mol
LogP3.28
Rot. Bonds6

About [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine

[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine (PubChem CID 105260868) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
PubChem CID105260868
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
SMILESCOCCC(C)C(NN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H18BrClN2O/c1-8(5-6-17-2)12(16-15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyNANKGLHXPZURDT-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.28
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-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105337978
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
[1-(4-bromo-3-chlorophenyl)-2-methoxyethyl]hydrazine
CID 105321658
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
methyl 4-(3-bromo-4-chlorophenyl)-4-hydroxy-3-methylbutanoate
CID 83230986

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine (CID 105260868) is [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine is COCCC(C)C(NN)c1ccc(Cl)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine?
The InChIKey is NANKGLHXPZURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O/c1-8(5-6-17-2)12(16-15)9-3-4-11(14)10(13)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3.
What are the key properties of [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine?
[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine has a molecular weight of 321.65 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine is sourced from PubChem (CID 105260868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).