N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine

C14H15N3O3 — CID 80869251

IUPACN-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2ccccc2C)n1
InChIInChI=1S/C14H15N3O3/c1-3-15-13-9-8-11(17(18)19)14(16-13)20-12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyXNTUBSUBQNLKIB-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine

N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine (PubChem CID 80869251) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
PubChem CID80869251
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2ccccc2C)n1
InChIInChI=1S/C14H15N3O3/c1-3-15-13-9-8-11(17(18)19)14(16-13)20-12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyXNTUBSUBQNLKIB-UHFFFAOYSA-N
XLogP3.52
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine (CID 80869251) is N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(Oc2ccccc2C)n1.
What is the InChIKey of N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine?
The InChIKey is XNTUBSUBQNLKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-15-13-9-8-11(17(18)19)14(16-13)20-12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine?
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80869251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).