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

C13H19FN2O — CID 107131023

IUPAC[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCCO2)cc1F
InChIInChI=1S/C13H19FN2O/c1-9-5-6-10(8-11(9)14)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyYMZHFNJFIKDHLI-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.21
Rot. Bonds3

About [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine

[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine (PubChem CID 107131023) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
PubChem CID107131023
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCCO2)cc1F
InChIInChI=1S/C13H19FN2O/c1-9-5-6-10(8-11(9)14)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyYMZHFNJFIKDHLI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
[(2-fluoro-5-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 105302766
[(3-fluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107130834
[(6-methyl-3-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105305482
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
[(3-fluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 107130969
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
[(3-fluoro-4-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105335357
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
[(7-fluoro-1-benzofuran-2-yl)-(oxan-2-yl)methyl]hydrazine
CID 105339231
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine?
The IUPAC name of [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine (CID 107131023) is [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCCCO2)cc1F.
What is the InChIKey of [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine?
The InChIKey is YMZHFNJFIKDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-5-6-10(8-11(9)14)13(16-15)12-4-2-3-7-17-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3.
What are the key properties of [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine?
[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine has a molecular weight of 238.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine is sourced from PubChem (CID 107131023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).