1-(2-fluoro-6-nitrophenyl)ethanamine

C8H9FN2O2 — CID 55282277

IUPAC1-(2-fluoro-6-nitrophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5(10)8-6(9)3-2-4-7(8)11(12)13/h2-5H,10H2,1H3
InChIKeyPPXQYJKAYKRWHJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.75
Rot. Bonds2

About 1-(2-fluoro-6-nitrophenyl)ethanamine

1-(2-fluoro-6-nitrophenyl)ethanamine (PubChem CID 55282277) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenyl)ethanamine
PubChem CID55282277
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name1-(2-fluoro-6-nitrophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5(10)8-6(9)3-2-4-7(8)11(12)13/h2-5H,10H2,1H3
InChIKeyPPXQYJKAYKRWHJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
CID 130623975
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
CID 130748697
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
dimethyl 2-(2-fluoro-6-nitrophenyl)propanedioate
CID 24824335
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
N-[1-(2,6-difluorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306465
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-nitrophenyl)ethanamine (CID 55282277) is 1-(2-fluoro-6-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-nitrophenyl)ethanamine is CC(N)c1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-6-nitrophenyl)ethanamine?
The InChIKey is PPXQYJKAYKRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5(10)8-6(9)3-2-4-7(8)11(12)13/h2-5H,10H2,1H3.
What are the key properties of 1-(2-fluoro-6-nitrophenyl)ethanamine?
1-(2-fluoro-6-nitrophenyl)ethanamine has a molecular weight of 184.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-nitrophenyl)ethanamine is sourced from PubChem (CID 55282277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).