1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine

C14H13FN2O3 — CID 61030760

IUPAC1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3/c1-9(16)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)17(18)19/h2-9H,16H2,1H3
InChIKeyAHACNSVSHSZTMD-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine

1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine (PubChem CID 61030760) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
PubChem CID61030760
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3/c1-9(16)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)17(18)19/h2-9H,16H2,1H3
InChIKeyAHACNSVSHSZTMD-UHFFFAOYSA-N
XLogP3.55
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.55
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

1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
(1R)-1-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine (CID 61030760) is 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine is CC(N)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine?
The InChIKey is AHACNSVSHSZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9(16)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)17(18)19/h2-9H,16H2,1H3.
What are the key properties of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine?
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine has a molecular weight of 276.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 61030760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).