[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine

C13H19BrN2O3 — CID 103524623

IUPAC[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCO2)c(OC)c1Br
InChIInChI=1S/C13H19BrN2O3/c1-17-9-6-5-8(13(18-2)11(9)14)12(16-15)10-4-3-7-19-10/h5-6,10,12,16H,3-4,7,15H2,1-2H3
InChIKeyCENMLWBAZARNNB-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.15
Rot. Bonds5

About [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine

[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine (PubChem CID 103524623) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
PubChem CID103524623
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCO2)c(OC)c1Br
InChIInChI=1S/C13H19BrN2O3/c1-17-9-6-5-8(13(18-2)11(9)14)12(16-15)10-4-3-7-19-10/h5-6,10,12,16H,3-4,7,15H2,1-2H3
InChIKeyCENMLWBAZARNNB-UHFFFAOYSA-N
XLogP2.15
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 103524743
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
[(2-ethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 105228918
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
CID 103524744
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
[isoquinolin-8-yl(oxolan-2-yl)methyl]hydrazine
CID 103140218
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine (CID 103524623) is [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine is COc1ccc(C(NN)C2CCCO2)c(OC)c1Br.
What is the InChIKey of [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine?
The InChIKey is CENMLWBAZARNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-17-9-6-5-8(13(18-2)11(9)14)12(16-15)10-4-3-7-19-10/h5-6,10,12,16H,3-4,7,15H2,1-2H3.
What are the key properties of [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine?
[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine has a molecular weight of 331.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 103524623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).