[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine

C14H21FN2O — CID 106884320

IUPAC[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-7-10(2)13(12(15)8-9)14(17-16)11-3-5-18-6-4-11/h7-8,11,14,17H,3-6,16H2,1-2H3
InChIKeyVYNUWQYZFDOZPP-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.37
Rot. Bonds3

About [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine

[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 106884320) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID106884320
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-7-10(2)13(12(15)8-9)14(17-16)11-3-5-18-6-4-11/h7-8,11,14,17H,3-6,16H2,1-2H3
InChIKeyVYNUWQYZFDOZPP-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.37
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-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884400
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
[(2-fluoro-4,6-dimethylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 106884649
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464
[cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682698
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine (CID 106884320) is [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CCOCC2)c(F)c1.
What is the InChIKey of [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is VYNUWQYZFDOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-7-10(2)13(12(15)8-9)14(17-16)11-3-5-18-6-4-11/h7-8,11,14,17H,3-6,16H2,1-2H3.
What are the key properties of [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine?
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine has a molecular weight of 252.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 106884320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).