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

C14H21BrN2O3 — CID 103524743

IUPAC[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCOC2C)c(OC)c1Br
InChIInChI=1S/C14H21BrN2O3/c1-8-9(6-7-20-8)13(17-16)10-4-5-11(18-2)12(15)14(10)19-3/h4-5,8-9,13,17H,6-7,16H2,1-3H3
InChIKeyRFBTUWVGEZPWHK-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.40
Rot. Bonds5

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

[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine (PubChem CID 103524743) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine
PubChem CID103524743
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCOC2C)c(OC)c1Br
InChIInChI=1S/C14H21BrN2O3/c1-8-9(6-7-20-8)13(17-16)10-4-5-11(18-2)12(15)14(10)19-3/h4-5,8-9,13,17H,6-7,16H2,1-3H3
InChIKeyRFBTUWVGEZPWHK-UHFFFAOYSA-N
XLogP2.40
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.40
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)-(oxolan-2-yl)methyl]hydrazine
CID 103524623
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
[(2-methyloxolan-3-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312874
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
[(2,3-dimethoxyphenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105309720
[(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105329724
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
CID 103524744
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105336963

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine (CID 103524743) is [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine is COc1ccc(C(NN)C2CCOC2C)c(OC)c1Br.
What is the InChIKey of [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The InChIKey is RFBTUWVGEZPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-8-9(6-7-20-8)13(17-16)10-4-5-11(18-2)12(15)14(10)19-3/h4-5,8-9,13,17H,6-7,16H2,1-3H3.
What are the key properties of [(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine?
[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine has a molecular weight of 345.24 g/mol, XLogP of 2.40, 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)-(2-methyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 103524743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).