[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine

C12H19N3O4 — CID 62245442

IUPAC[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
SMILESCC(C)OCCOCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N3O4/c1-9(2)19-6-5-18-8-10-3-4-11(14-13)12(7-10)15(16)17/h3-4,7,9,14H,5-6,8,13H2,1-2H3
InChIKeyAVAMESIINZJHFH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.82
Rot. Bonds8

About [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine

[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine (PubChem CID 62245442) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
PubChem CID62245442
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
SMILESCC(C)OCCOCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N3O4/c1-9(2)19-6-5-18-8-10-3-4-11(14-13)12(7-10)15(16)17/h3-4,7,9,14H,5-6,8,13H2,1-2H3
InChIKeyAVAMESIINZJHFH-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
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[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
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CID 62194983
N-ethyl-4-(2-methoxyethoxymethyl)-2-nitroaniline
CID 62194607
4-(2-ethoxyethoxymethyl)-2-nitro-N-propylaniline
CID 62195676
4-[3-(2-methoxyethoxy)propoxymethyl]-N-methyl-2-nitroaniline
CID 103405420
[4-(2-methylbutylsulfanylmethyl)-2-nitrophenyl]hydrazine
CID 107756756
4-(butan-2-yloxymethyl)-N-ethyl-2-nitroaniline
CID 55044511
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine (CID 62245442) is [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine is CC(C)OCCOCc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine?
The InChIKey is AVAMESIINZJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9(2)19-6-5-18-8-10-3-4-11(14-13)12(7-10)15(16)17/h3-4,7,9,14H,5-6,8,13H2,1-2H3.
What are the key properties of [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine?
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]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 [2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine is sourced from PubChem (CID 62245442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).