N-ethyl-3-nitro-5-propan-2-yloxyaniline

C11H16N2O3 — CID 80721910

IUPACN-ethyl-3-nitro-5-propan-2-yloxyaniline
SMILESCCNc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-4-12-9-5-10(13(14)15)7-11(6-9)16-8(2)3/h5-8,12H,4H2,1-3H3
InChIKeyVTCJQWRRHDZROT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-3-nitro-5-propan-2-yloxyaniline

N-ethyl-3-nitro-5-propan-2-yloxyaniline (PubChem CID 80721910) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-ethyl-3-nitro-5-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-ethyl-3-nitro-5-propan-2-yloxyaniline
PubChem CID80721910
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-ethyl-3-nitro-5-propan-2-yloxyaniline
SMILESCCNc1cc(OC(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-4-12-9-5-10(13(14)15)7-11(6-9)16-8(2)3/h5-8,12H,4H2,1-3H3
InChIKeyVTCJQWRRHDZROT-UHFFFAOYSA-N
XLogP2.81
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-nitro-5-pentan-2-yloxyaniline
CID 102989295
N-butyl-3-nitro-5-propan-2-yloxyaniline
CID 80722685
N-(2,2-dimethylbutyl)-3-nitro-5-propan-2-yloxyaniline
CID 103462392
2-ethyl-1-N-(3-nitro-5-propan-2-yloxyphenyl)butane-1,2-diamine
CID 115306241
N-ethyl-3-(2-methylpropoxy)-5-nitroaniline
CID 80860634
N',N'-dimethyl-N-(3-nitro-5-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 80721618
N,2-dimethyl-N'-(3-nitro-5-propan-2-yloxyphenyl)propane-1,3-diamine
CID 115303118
2-(3-nitro-5-propan-2-yloxyanilino)acetamide
CID 80722203
2-[(3-nitro-5-propan-2-yloxyanilino)methyl]butanoic acid
CID 80743047
ethyl 3-(3-nitro-5-propan-2-yloxyanilino)propanoate
CID 80733229
1-cyclopropyl-2-(3-nitro-5-propan-2-yloxyanilino)ethanol
CID 80724196
N-(4-methylpentan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80724491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-5-propan-2-yloxyaniline?
The IUPAC name of N-ethyl-3-nitro-5-propan-2-yloxyaniline (CID 80721910) is N-ethyl-3-nitro-5-propan-2-yloxyaniline.
What is the SMILES notation for N-ethyl-3-nitro-5-propan-2-yloxyaniline?
The canonical SMILES for N-ethyl-3-nitro-5-propan-2-yloxyaniline is CCNc1cc(OC(C)C)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-nitro-5-propan-2-yloxyaniline?
The InChIKey is VTCJQWRRHDZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-12-9-5-10(13(14)15)7-11(6-9)16-8(2)3/h5-8,12H,4H2,1-3H3.
What are the key properties of N-ethyl-3-nitro-5-propan-2-yloxyaniline?
N-ethyl-3-nitro-5-propan-2-yloxyaniline has a molecular weight of 224.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-5-propan-2-yloxyaniline is sourced from PubChem (CID 80721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).