[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine

C13H21BrN2 — CID 105294292

IUPAC[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine
SMILESCc1ccc(Br)c(C(CCC(C)C)NN)c1
InChIInChI=1S/C13H21BrN2/c1-9(2)4-7-13(16-15)11-8-10(3)5-6-12(11)14/h5-6,8-9,13,16H,4,7,15H2,1-3H3
InChIKeyIWDWRUNNKBMBSR-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.70
Rot. Bonds5

About [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine

[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine (PubChem CID 105294292) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine
PubChem CID105294292
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine
SMILESCc1ccc(Br)c(C(CCC(C)C)NN)c1
InChIInChI=1S/C13H21BrN2/c1-9(2)4-7-13(16-15)11-8-10(3)5-6-12(11)14/h5-6,8-9,13,16H,4,7,15H2,1-3H3
InChIKeyIWDWRUNNKBMBSR-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
1-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090
[1-(2-bromo-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331264
[1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290064
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
[1-(2-bromo-5-methylphenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105286618
[2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 106271871
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
[1-(5-fluoro-2-methylphenyl)-4-methylpentyl]hydrazine
CID 105207462
1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
CID 105311522

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine (CID 105294292) is [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine is Cc1ccc(Br)c(C(CCC(C)C)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine?
The InChIKey is IWDWRUNNKBMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-9(2)4-7-13(16-15)11-8-10(3)5-6-12(11)14/h5-6,8-9,13,16H,4,7,15H2,1-3H3.
What are the key properties of [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine?
[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine has a molecular weight of 285.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine is sourced from PubChem (CID 105294292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).