N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine

C11H16N2O4 — CID 29015980

IUPACN-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
SMILESCCNCCOc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-3-12-6-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyFEADFBPOXJSBQF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.59
Rot. Bonds7

About N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine

N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine (PubChem CID 29015980) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
PubChem CID29015980
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
SMILESCCNCCOc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-3-12-6-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyFEADFBPOXJSBQF-UHFFFAOYSA-N
XLogP1.59
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
CID 63691870
1-(4-methoxy-2-nitrophenoxy)-2-methylbutan-2-amine
CID 64574065
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
N-[(3-nitro-4-propoxyphenyl)methyl]ethanamine
CID 43277766
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276
3-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpropan-1-amine
CID 103483520
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
2-(4-iodo-2-nitrophenoxy)-N-methylethanamine
CID 66080361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine (CID 29015980) is N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine is CCNCCOc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine?
The InChIKey is FEADFBPOXJSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-12-6-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine?
N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine is sourced from PubChem (CID 29015980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).