N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine

C14H14FN3O3 — CID 104832414

IUPACN-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
SMILESCCNc1ccnc(COc2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14FN3O3/c1-2-16-10-6-7-17-11(8-10)9-21-14-12(15)4-3-5-13(14)18(19)20/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyJDYXMLVSPOCSIN-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine

N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine (PubChem CID 104832414) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
PubChem CID104832414
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
SMILESCCNc1ccnc(COc2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14FN3O3/c1-2-16-10-6-7-17-11(8-10)9-21-14-12(15)4-3-5-13(14)18(19)20/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyJDYXMLVSPOCSIN-UHFFFAOYSA-N
XLogP3.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.14
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

5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 104832417
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 116689899
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine (CID 104832414) is N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine is CCNc1ccnc(COc2c(F)cccc2[N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine?
The InChIKey is JDYXMLVSPOCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-2-16-10-6-7-17-11(8-10)9-21-14-12(15)4-3-5-13(14)18(19)20/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine?
N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine has a molecular weight of 291.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 104832414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).