[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine

C14H21BrN2O2 — CID 105298912

IUPAC[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(CC2CCOCC2)NN)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-18-14-3-2-11(9-12(14)15)13(17-16)8-10-4-6-19-7-5-10/h2-3,9-10,13,17H,4-8,16H2,1H3
InChIKeyCGNHNQBUFYLPKR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.78
Rot. Bonds5

About [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine

[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105298912) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
PubChem CID105298912
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCOc1ccc(C(CC2CCOCC2)NN)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-18-14-3-2-11(9-12(14)15)13(17-16)8-10-4-6-19-7-5-10/h2-3,9-10,13,17H,4-8,16H2,1H3
InChIKeyCGNHNQBUFYLPKR-UHFFFAOYSA-N
XLogP2.78
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[1-(5-chloro-2-methoxyphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266240
[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105254156

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine (CID 105298912) is [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine is COc1ccc(C(CC2CCOCC2)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is CGNHNQBUFYLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-18-14-3-2-11(9-12(14)15)13(17-16)8-10-4-6-19-7-5-10/h2-3,9-10,13,17H,4-8,16H2,1H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 329.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105298912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).