[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine

C15H25N3O3 — CID 62244152

IUPAC[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
SMILESCCCCCCC(C)OCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-8-9-14(17-16)15(10-13)18(19)20/h8-10,12,17H,3-7,11,16H2,1-2H3
InChIKeyDNABSPIDGFVFNB-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds10

About [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine

[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine (PubChem CID 62244152) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
PubChem CID62244152
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine
SMILESCCCCCCC(C)OCc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-8-9-14(17-16)15(10-13)18(19)20/h8-10,12,17H,3-7,11,16H2,1-2H3
InChIKeyDNABSPIDGFVFNB-UHFFFAOYSA-N
XLogP3.76
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(hexoxymethyl)-2-nitrophenyl]hydrazine
CID 62245077
[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244153
[2-nitro-4-(2-propan-2-yloxyethoxymethyl)phenyl]hydrazine
CID 62245442
4-(butan-2-yloxymethyl)-N-ethyl-2-nitroaniline
CID 55044511
[5-(1-ethoxypropan-2-yloxymethyl)-2-nitrophenyl]hydrazine
CID 103490287
2-nitro-4-(propan-2-yloxymethyl)-N-propylaniline
CID 62194983
2-nitro-5-(pentan-2-yloxymethyl)-N-propylaniline
CID 102985036
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
[4-(2-methylbutylsulfanylmethyl)-2-nitrophenyl]hydrazine
CID 107756756
4-methyl-2-nitro-N-nonan-2-ylaniline
CID 43718690

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine (CID 62244152) is [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine is CCCCCCC(C)OCc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine?
The InChIKey is DNABSPIDGFVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-5-6-7-12(2)21-11-13-8-9-14(17-16)15(10-13)18(19)20/h8-10,12,17H,3-7,11,16H2,1-2H3.
What are the key properties of [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine?
[2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine has a molecular weight of 295.38 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(octan-2-yloxymethyl)phenyl]hydrazine is sourced from PubChem (CID 62244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).