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

C15H21FN2O — CID 105298446

IUPAC[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H21FN2O/c1-4-9(2)7-13(18-17)15-10(3)12-8-11(16)5-6-14(12)19-15/h5-6,8-9,13,18H,4,7,17H2,1-3H3
InChIKeySPSIWNVPENYTMT-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.82
Rot. Bonds5

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

[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine (PubChem CID 105298446) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
PubChem CID105298446
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H21FN2O/c1-4-9(2)7-13(18-17)15-10(3)12-8-11(16)5-6-14(12)19-15/h5-6,8-9,13,18H,4,7,17H2,1-3H3
InChIKeySPSIWNVPENYTMT-UHFFFAOYSA-N
XLogP3.82
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.82
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-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316414
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
CID 105129790
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163861
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine?
The IUPAC name of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine (CID 105298446) is [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine is CCC(C)CC(NN)c1oc2ccc(F)cc2c1C.
What is the InChIKey of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine?
The InChIKey is SPSIWNVPENYTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-9(2)7-13(18-17)15-10(3)12-8-11(16)5-6-14(12)19-15/h5-6,8-9,13,18H,4,7,17H2,1-3H3.
What are the key properties of [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine?
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine has a molecular weight of 264.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine is sourced from PubChem (CID 105298446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).