[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine

C11H17BrN2O — CID 105247124

IUPAC[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1ccccc1Br)NN
InChIInChI=1S/C11H17BrN2O/c1-8(15-2)11(14-13)7-9-5-3-4-6-10(9)12/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyRFAIBUBEPPYNPE-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.86
Rot. Bonds5

About [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine

[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine (PubChem CID 105247124) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
PubChem CID105247124
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1ccccc1Br)NN
InChIInChI=1S/C11H17BrN2O/c1-8(15-2)11(14-13)7-9-5-3-4-6-10(9)12/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyRFAIBUBEPPYNPE-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.86
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-bromophenyl)-3-methylpentan-2-yl]hydrazine
CID 105214988
1-bromo-2-(2,2-dimethoxyethyl)benzene
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[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 102623380
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
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[1-(1-adamantyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105214542

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine (CID 105247124) is [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine is COC(C)C(Cc1ccccc1Br)NN.
What is the InChIKey of [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine?
The InChIKey is RFAIBUBEPPYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(15-2)11(14-13)7-9-5-3-4-6-10(9)12/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine?
[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine has a molecular weight of 273.17 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105247124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).