[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine

C15H17N3O3 — CID 107353334

IUPAC[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESCCc1ccccc1OCc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C15H17N3O3/c1-2-11-6-3-4-9-14(11)21-10-12-7-5-8-13(18(19)20)15(12)17-16/h3-9,17H,2,10,16H2,1H3
InChIKeyLVESNQABXLGVMX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.02
Rot. Bonds6

About [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine

[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine (PubChem CID 107353334) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
PubChem CID107353334
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESCCc1ccccc1OCc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C15H17N3O3/c1-2-11-6-3-4-9-14(11)21-10-12-7-5-8-13(18(19)20)15(12)17-16/h3-9,17H,2,10,16H2,1H3
InChIKeyLVESNQABXLGVMX-UHFFFAOYSA-N
XLogP3.02
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
2-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 47214179
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine (CID 107353334) is [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine is CCc1ccccc1OCc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The InChIKey is LVESNQABXLGVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-11-6-3-4-9-14(11)21-10-12-7-5-8-13(18(19)20)15(12)17-16/h3-9,17H,2,10,16H2,1H3.
What are the key properties of [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine?
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine has a molecular weight of 287.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).