[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine

C12H19N3O4 — CID 103490287

IUPAC[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine
SMILESCCOCC(C)OCc1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H19N3O4/c1-3-18-7-9(2)19-8-10-4-5-12(15(16)17)11(6-10)14-13/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyTYILTKXIGNNWIQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.82
Rot. Bonds8

About [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine

[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine (PubChem CID 103490287) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine
PubChem CID103490287
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine
SMILESCCOCC(C)OCc1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H19N3O4/c1-3-18-7-9(2)19-8-10-4-5-12(15(16)17)11(6-10)14-13/h4-6,9,14H,3,7-8,13H2,1-2H3
InChIKeyTYILTKXIGNNWIQ-UHFFFAOYSA-N
XLogP1.82
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]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

2-nitro-5-(pentan-2-yloxymethyl)-N-propylaniline
CID 102985036
[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244152
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
4-(butan-2-yloxymethyl)-N-ethyl-2-nitroaniline
CID 55044511
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 83136867
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
5-(1-ethoxypropan-2-yloxy)-2-nitrobenzonitrile
CID 103488128
[4-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 116689933
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
1-N-(1-ethoxypropan-2-yl)-4-nitrobenzene-1,3-diamine
CID 106749193

Frequently Asked Questions

What is the IUPAC name of [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine?
The IUPAC name of [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine (CID 103490287) is [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine is CCOCC(C)OCc1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine?
The InChIKey is TYILTKXIGNNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-18-7-9(2)19-8-10-4-5-12(15(16)17)11(6-10)14-13/h4-6,9,14H,3,7-8,13H2,1-2H3.
What are the key properties of [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine?
[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine has a molecular weight of 269.30 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 103490287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).