[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine

C11H16BrClN2O — CID 105206418

IUPAC[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C11H16BrClN2O/c1-16-5-4-10(15-14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,15H,4-6,14H2,1H3
InChIKeyWGGODHLLNURJBH-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.51
Rot. Bonds6

About [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine

[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine (PubChem CID 105206418) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
PubChem CID105206418
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C11H16BrClN2O/c1-16-5-4-10(15-14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,15H,4-6,14H2,1H3
InChIKeyWGGODHLLNURJBH-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.51
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-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(4-bromo-2-chlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206721
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105335286
[1-(4-bromo-2-chlorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105335240

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine (CID 105206418) is [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine is COCCC(Cc1ccc(Br)cc1Cl)NN.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine?
The InChIKey is WGGODHLLNURJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-16-5-4-10(15-14)6-8-2-3-9(12)7-11(8)13/h2-3,7,10,15H,4-6,14H2,1H3.
What are the key properties of [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine?
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine has a molecular weight of 307.62 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105206418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).