[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine

C13H21BrN2O — CID 105274246

IUPAC[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1ccccc1Br)NN
InChIInChI=1S/C13H21BrN2O/c1-4-17-13(2,3)12(16-15)9-10-7-5-6-8-11(10)14/h5-8,12,16H,4,9,15H2,1-3H3
InChIKeyGNODBCMQKYLLEX-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.64
Rot. Bonds6

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

[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105274246) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105274246
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1ccccc1Br)NN
InChIInChI=1S/C13H21BrN2O/c1-4-17-13(2,3)12(16-15)9-10-7-5-6-8-11(10)14/h5-8,12,16H,4,9,15H2,1-3H3
InChIKeyGNODBCMQKYLLEX-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.64
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-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087
[1-(2-bromophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105242253
[1-(2-bromophenyl)-3-methylpentan-2-yl]hydrazine
CID 105214988
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
[1-(3,5-dimethylphenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274027
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247124

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (CID 105274246) is [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine is CCOC(C)(C)C(Cc1ccccc1Br)NN.
What is the InChIKey of [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is GNODBCMQKYLLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-17-13(2,3)12(16-15)9-10-7-5-6-8-11(10)14/h5-8,12,16H,4,9,15H2,1-3H3.
What are the key properties of [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 301.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105274246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).