[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine

C17H23FN2O — CID 105313472

IUPAC[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCc1c(C(NN)C2CCCC(C)C2)oc2ccc(F)cc12
InChIInChI=1S/C17H23FN2O/c1-10-4-3-5-12(8-10)16(20-19)17-11(2)14-9-13(18)6-7-15(14)21-17/h6-7,9-10,12,16,20H,3-5,8,19H2,1-2H3
InChIKeyIYSIVHZDJZIYEN-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.21
Rot. Bonds3

About [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine

[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine (PubChem CID 105313472) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
PubChem CID105313472
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCc1c(C(NN)C2CCCC(C)C2)oc2ccc(F)cc12
InChIInChI=1S/C17H23FN2O/c1-10-4-3-5-12(8-10)16(20-19)17-11(2)14-9-13(18)6-7-15(14)21-17/h6-7,9-10,12,16,20H,3-5,8,19H2,1-2H3
InChIKeyIYSIVHZDJZIYEN-UHFFFAOYSA-N
XLogP4.21
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.21
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

[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
N-[cyclopentyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 143859293
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 114728254
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378

Frequently Asked Questions

What is the IUPAC name of [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine (CID 105313472) is [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine is Cc1c(C(NN)C2CCCC(C)C2)oc2ccc(F)cc12.
What is the InChIKey of [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine?
The InChIKey is IYSIVHZDJZIYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-10-4-3-5-12(8-10)16(20-19)17-11(2)14-9-13(18)6-7-15(14)21-17/h6-7,9-10,12,16,20H,3-5,8,19H2,1-2H3.
What are the key properties of [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine?
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine has a molecular weight of 290.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105313472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).