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

C17H17FN2O — CID 105338687

IUPAC[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H17FN2O/c1-10-5-11(2)7-13(6-10)17(20-19)16-9-12-8-14(18)3-4-15(12)21-16/h3-9,17,20H,19H2,1-2H3
InChIKeyRLXHPSKSUJELRY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.74
Rot. Bonds3

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

[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338687) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338687
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cc(C)cc(C(NN)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H17FN2O/c1-10-5-11(2)7-13(6-10)17(20-19)16-9-12-8-14(18)3-4-15(12)21-16/h3-9,17,20H,19H2,1-2H3
InChIKeyRLXHPSKSUJELRY-UHFFFAOYSA-N
XLogP3.74
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.74
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'}

Analyze [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
1-(3-bromo-5-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046064
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
[(5-fluoro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269568
[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338716
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105338687) is [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is Cc1cc(C)cc(C(NN)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is RLXHPSKSUJELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-5-11(2)7-13(6-10)17(20-19)16-9-12-8-14(18)3-4-15(12)21-16/h3-9,17,20H,19H2,1-2H3.
What are the key properties of [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 284.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).