[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine

C12H19BrN2O — CID 105321406

IUPAC[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(C)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)10-5-4-9(2)7-11(10)13/h4-5,7,12,15H,3,6,8,14H2,1-2H3
InChIKeyYFZROGULIPXJNK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.69
Rot. Bonds6

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

[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine (PubChem CID 105321406) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine
PubChem CID105321406
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(C)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)10-5-4-9(2)7-11(10)13/h4-5,7,12,15H,3,6,8,14H2,1-2H3
InChIKeyYFZROGULIPXJNK-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321353
[1-(2-bromo-4-fluorophenyl)-2-ethoxyethyl]hydrazine
CID 105321215
[1-(2-bromo-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331264
[1-(2-bromo-4-methylphenyl)-2-(4-bromophenyl)ethyl]hydrazine
CID 105284383
3-(1-hydrazinyl-2-propoxyethyl)-5-methylpyridin-2-amine
CID 105210168
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144
1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
CID 105311522
[1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethyl]hydrazine
CID 105321504
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
[1-(2-fluoro-4-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105256812

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine (CID 105321406) is [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine is CCCOCC(NN)c1ccc(C)cc1Br.
What is the InChIKey of [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine?
The InChIKey is YFZROGULIPXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)10-5-4-9(2)7-11(10)13/h4-5,7,12,15H,3,6,8,14H2,1-2H3.
What are the key properties of [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine?
[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine has a molecular weight of 287.20 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105321406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).