[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

C16H25BrN2O — CID 105341612

IUPAC[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C16H25BrN2O/c1-10-6-11(8-12(17)7-10)14(19-18)13-9-15(2,3)20-16(13,4)5/h6-8,13-14,19H,9,18H2,1-5H3
InChIKeyYBTOBKNBNHVXFV-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.86
Rot. Bonds3

About [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (PubChem CID 105341612) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
PubChem CID105341612
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C16H25BrN2O/c1-10-6-11(8-12(17)7-10)14(19-18)13-9-15(2,3)20-16(13,4)5/h6-8,13-14,19H,9,18H2,1-5H3
InChIKeyYBTOBKNBNHVXFV-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
[(3-iodophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341599
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
[(3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105191789
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
[(3-bromo-5-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313494
[1H-imidazol-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105252265
[(2,2,5,5-tetramethyloxolan-3-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105341631

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (CID 105341612) is [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is Cc1cc(Br)cc(C(NN)C2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The InChIKey is YBTOBKNBNHVXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-10-6-11(8-12(17)7-10)14(19-18)13-9-15(2,3)20-16(13,4)5/h6-8,13-14,19H,9,18H2,1-5H3.
What are the key properties of [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine has a molecular weight of 341.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105341612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).