1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

C21H22FN3O — CID 146632622

IUPAC1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cc(F)ccc1-c1cccc(OCc2c(C)cccc2N(C)N)n1
InChIInChI=1S/C21H22FN3O/c1-14-6-4-8-20(25(3)23)18(14)13-26-21-9-5-7-19(24-21)17-11-10-16(22)12-15(17)2/h4-12H,13,23H2,1-3H3
InChIKeyGNUKKRJJVNWFNG-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 146632622) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID146632622
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cc(F)ccc1-c1cccc(OCc2c(C)cccc2N(C)N)n1
InChIInChI=1S/C21H22FN3O/c1-14-6-4-8-20(25(3)23)18(14)13-26-21-9-5-7-19(24-21)17-11-10-16(22)12-15(17)2/h4-12H,13,23H2,1-3H3
InChIKeyGNUKKRJJVNWFNG-UHFFFAOYSA-N
XLogP4.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (CID 146632622) is 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cc(F)ccc1-c1cccc(OCc2c(C)cccc2N(C)N)n1.
What is the InChIKey of 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is GNUKKRJJVNWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-6-4-8-20(25(3)23)18(14)13-26-21-9-5-7-19(24-21)17-11-10-16(22)12-15(17)2/h4-12H,13,23H2,1-3H3.
What are the key properties of 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 351.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 146632622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).