N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine

C9H14N2O2 — CID 54363080

IUPACN-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine
SMILESCCN(O)COc1ccccc1N
InChIInChI=1S/C9H14N2O2/c1-2-11(12)7-13-9-6-4-3-5-8(9)10/h3-6,12H,2,7,10H2,1H3
InChIKeyUNWHMNDSHVYESL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds4

About N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine

N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine (PubChem CID 54363080) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine
PubChem CID54363080
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine
SMILESCCN(O)COc1ccccc1N
InChIInChI=1S/C9H14N2O2/c1-2-11(12)7-13-9-6-4-3-5-8(9)10/h3-6,12H,2,7,10H2,1H3
InChIKeyUNWHMNDSHVYESL-UHFFFAOYSA-N
XLogP1.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyaniline;molecular hydrogen
CID 144877970
2-ethoxyaniline;propan-2-one
CID 517004
(2-aminophenoxy)methanol
CID 22976615
2-octoxyaniline
CID 14747235
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-(methylsulfanylmethoxy)aniline
CID 71337574
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine?
The IUPAC name of N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine (CID 54363080) is N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine.
What is the SMILES notation for N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine?
The canonical SMILES for N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine is CCN(O)COc1ccccc1N.
What is the InChIKey of N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine?
The InChIKey is UNWHMNDSHVYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-11(12)7-13-9-6-4-3-5-8(9)10/h3-6,12H,2,7,10H2,1H3.
What are the key properties of N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine?
N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine has a molecular weight of 182.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine is sourced from PubChem (CID 54363080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).