[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine

C14H15N3O3 — CID 107353306

IUPAC[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2NN)c1
InChIInChI=1S/C14H15N3O3/c1-10-4-2-6-12(8-10)20-9-11-5-3-7-13(17(18)19)14(11)16-15/h2-8,16H,9,15H2,1H3
InChIKeyCZFWBQSUIIOUNJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.77
Rot. Bonds5

About [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine

[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine (PubChem CID 107353306) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
PubChem CID107353306
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
SMILESCc1cccc(OCc2cccc([N+](=O)[O-])c2NN)c1
InChIInChI=1S/C14H15N3O3/c1-10-4-2-6-12(8-10)20-9-11-5-3-7-13(17(18)19)14(11)16-15/h2-8,16H,9,15H2,1H3
InChIKeyCZFWBQSUIIOUNJ-UHFFFAOYSA-N
XLogP2.77
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.77
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

N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
[2-[(2-ethylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353334
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
2-[(4-fluoro-3-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352446
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
N-methyl-4-[(3-methylphenoxy)methyl]-2-nitroaniline
CID 62194587
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine (CID 107353306) is [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine is Cc1cccc(OCc2cccc([N+](=O)[O-])c2NN)c1.
What is the InChIKey of [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine?
The InChIKey is CZFWBQSUIIOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-2-6-12(8-10)20-9-11-5-3-7-13(17(18)19)14(11)16-15/h2-8,16H,9,15H2,1H3.
What are the key properties of [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine?
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine has a molecular weight of 273.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).