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

C12H17BrN2O — CID 105306637

IUPAC[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)C2CCOC2)c1
InChIInChI=1S/C12H17BrN2O/c1-8-2-3-11(13)10(6-8)12(15-14)9-4-5-16-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyOLTPTPVPYIOJLL-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.30
Rot. Bonds3

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

[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine (PubChem CID 105306637) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
PubChem CID105306637
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)C2CCOC2)c1
InChIInChI=1S/C12H17BrN2O/c1-8-2-3-11(13)10(6-8)12(15-14)9-4-5-16-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyOLTPTPVPYIOJLL-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.30
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

[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
[(2-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106793716
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
[(5-methyl-3-pyridinyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229346
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine (CID 105306637) is [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine is Cc1ccc(Br)c(C(NN)C2CCOC2)c1.
What is the InChIKey of [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine?
The InChIKey is OLTPTPVPYIOJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-2-3-11(13)10(6-8)12(15-14)9-4-5-16-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3.
What are the key properties of [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine?
[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine has a molecular weight of 285.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105306637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).