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

C12H19BrN2O — CID 105321353

IUPAC[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(Br)cc1C
InChIInChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)11-5-4-10(13)7-9(11)2/h4-5,7,12,15H,3,6,8,14H2,1-2H3
InChIKeyANLCDQAZQRHOQV-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.69
Rot. Bonds6

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

[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine (PubChem CID 105321353) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
PubChem CID105321353
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(Br)cc1C
InChIInChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)11-5-4-10(13)7-9(11)2/h4-5,7,12,15H,3,6,8,14H2,1-2H3
InChIKeyANLCDQAZQRHOQV-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'}

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Related Compounds

[1-(4-bromo-2-methylphenyl)-2-ethoxyethyl]hydrazine
CID 105321151
[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321406
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
[1-(4-bromo-2-methylphenyl)-3-ethylpentyl]hydrazine
CID 105330951
[1-(4-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105222366
[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299902
[1-(4-methoxy-3-methylphenyl)-2-propoxyethyl]hydrazine
CID 105258293
[1-(4-bromo-2-methylphenyl)-2-methylbutyl]hydrazine
CID 105325669
[1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethyl]hydrazine
CID 105321504
[1-(2-fluoro-4-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105256812
[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
CID 107948361

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine (CID 105321353) is [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine is CCCOCC(NN)c1ccc(Br)cc1C.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine?
The InChIKey is ANLCDQAZQRHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-6-16-8-12(15-14)11-5-4-10(13)7-9(11)2/h4-5,7,12,15H,3,6,8,14H2,1-2H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine?
[1-(4-bromo-2-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-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105321353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).