[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine

C13H19FN2O — CID 105211548

IUPAC[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CCOCC1
InChIInChI=1S/C13H19FN2O/c1-9-2-3-11(14)8-12(9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3
InChIKeyVQQMLRCBDDHLLV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds3

About [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine

[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 105211548) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID105211548
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1CCOCC1
InChIInChI=1S/C13H19FN2O/c1-9-2-3-11(14)8-12(9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3
InChIKeyVQQMLRCBDDHLLV-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
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

1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302141
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
[2-(5-fluoro-2-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105377822
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234578
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581

Frequently Asked Questions

What is the IUPAC name of [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine (CID 105211548) is [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine is Cc1ccc(F)cc1C(NN)C1CCOCC1.
What is the InChIKey of [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is VQQMLRCBDDHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-2-3-11(14)8-12(9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3.
What are the key properties of [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine has a molecular weight of 238.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105211548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).