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

C13H19BrN2O — CID 107139910

IUPAC[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)C1CCCOC1
InChIInChI=1S/C13H19BrN2O/c1-9-4-5-11(14)7-12(9)13(16-15)10-3-2-6-17-8-10/h4-5,7,10,13,16H,2-3,6,8,15H2,1H3
InChIKeyMMUNNTABCPYDPO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.69
Rot. Bonds3

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

[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine (PubChem CID 107139910) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
PubChem CID107139910
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)C1CCCOC1
InChIInChI=1S/C13H19BrN2O/c1-9-4-5-11(14)7-12(9)13(16-15)10-3-2-6-17-8-10/h4-5,7,10,13,16H,2-3,6,8,15H2,1H3
InChIKeyMMUNNTABCPYDPO-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.69
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

[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306637
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine (CID 107139910) is [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine is Cc1ccc(Br)cc1C(NN)C1CCCOC1.
What is the InChIKey of [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine?
The InChIKey is MMUNNTABCPYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-4-5-11(14)7-12(9)13(16-15)10-3-2-6-17-8-10/h4-5,7,10,13,16H,2-3,6,8,15H2,1H3.
What are the key properties of [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine?
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine has a molecular weight of 299.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 107139910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).