1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine

C15H15FN2O3 — CID 61031032

IUPAC1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2cccc(F)c2C(C)N)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-9-8-11(6-7-13(9)18(19)20)21-14-5-3-4-12(16)15(14)10(2)17/h3-8,10H,17H2,1-2H3
InChIKeyZJAOBCCYDYRYFX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine

1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine (PubChem CID 61031032) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
PubChem CID61031032
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2cccc(F)c2C(C)N)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-9-8-11(6-7-13(9)18(19)20)21-14-5-3-4-12(16)15(14)10(2)17/h3-8,10H,17H2,1-2H3
InChIKeyZJAOBCCYDYRYFX-UHFFFAOYSA-N
XLogP3.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.85
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

(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
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine (CID 61031032) is 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine is Cc1cc(Oc2cccc(F)c2C(C)N)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine?
The InChIKey is ZJAOBCCYDYRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-8-11(6-7-13(9)18(19)20)21-14-5-3-4-12(16)15(14)10(2)17/h3-8,10H,17H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine?
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.85, 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-methyl-4-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 61031032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).