[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine

C11H16BrClN2O — CID 107948361

IUPAC[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H16BrClN2O/c1-2-3-16-7-11(15-14)8-4-9(12)6-10(13)5-8/h4-6,11,15H,2-3,7,14H2,1H3
InChIKeyQZIFPQOZSJYOMY-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.03
Rot. Bonds6

About [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine

[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine (PubChem CID 107948361) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
PubChem CID107948361
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H16BrClN2O/c1-2-3-16-7-11(15-14)8-4-9(12)6-10(13)5-8/h4-6,11,15H,2-3,7,14H2,1H3
InChIKeyQZIFPQOZSJYOMY-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.03
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

N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
[1-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109
[1-(4-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105222366
[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321353
1-(3,5-dichlorophenyl)butylhydrazine
CID 105282259
[1-(3-bromo-5-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948336
1-(3-bromo-5-chlorophenyl)pent-4-enylhydrazine
CID 107948273
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
[1-(3,5-dibromophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 107979282
[(3-bromo-5-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 107948448
[1-(2,6-dichlorophenyl)-2-propoxyethyl]hydrazine
CID 105321436

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine (CID 107948361) is [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine is CCCOCC(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine?
The InChIKey is QZIFPQOZSJYOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-2-3-16-7-11(15-14)8-4-9(12)6-10(13)5-8/h4-6,11,15H,2-3,7,14H2,1H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine has a molecular weight of 307.62 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 107948361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).