[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine

C14H20N2O2 — CID 105209906

IUPAC[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H20N2O2/c1-3-7-17-9-12(16-15)13-8-11-6-4-5-10(2)14(11)18-13/h4-6,8,12,16H,3,7,9,15H2,1-2H3
InChIKeyKSOWOQILOXWAPH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.67
Rot. Bonds6

About [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine

[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine (PubChem CID 105209906) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
PubChem CID105209906
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H20N2O2/c1-3-7-17-9-12(16-15)13-8-11-6-4-5-10(2)14(11)18-13/h4-6,8,12,16H,3,7,9,15H2,1-2H3
InChIKeyKSOWOQILOXWAPH-UHFFFAOYSA-N
XLogP2.67
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-ethoxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235204
[1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212911
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
[1-(5-methylfuran-2-yl)-2-propoxyethyl]hydrazine
CID 105321469
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228017
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321353
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504

Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine (CID 105209906) is [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine is CCCOCC(NN)c1cc2cccc(C)c2o1.
What is the InChIKey of [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine?
The InChIKey is KSOWOQILOXWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-17-9-12(16-15)13-8-11-6-4-5-10(2)14(11)18-13/h4-6,8,12,16H,3,7,9,15H2,1-2H3.
What are the key properties of [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine?
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine has a molecular weight of 248.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105209906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).