[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine

C12H16Br2N2O — CID 107139773

IUPAC[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)ccc1Br)C1CCCOC1
InChIInChI=1S/C12H16Br2N2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyCKDYEXMFUGDPSL-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.14
Rot. Bonds3

About [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine

[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine (PubChem CID 107139773) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
PubChem CID107139773
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1cc(Br)ccc1Br)C1CCCOC1
InChIInChI=1S/C12H16Br2N2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyCKDYEXMFUGDPSL-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.14
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

[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
[cyclobutyl-(2,5-dibromophenyl)methyl]hydrazine
CID 105340154
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306637
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine (CID 107139773) is [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine is NNC(c1cc(Br)ccc1Br)C1CCCOC1.
What is the InChIKey of [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine?
The InChIKey is CKDYEXMFUGDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2.
What are the key properties of [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine?
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine has a molecular weight of 364.08 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 107139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).