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

C14H12F2N2O3 — CID 62367686

IUPAC1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H12F2N2O3/c1-8(17)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)18(19)20/h2-8H,17H2,1H3
InChIKeyWPOCCISRHLJKSO-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.68
Rot. Bonds4

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

1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine (PubChem CID 62367686) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
PubChem CID62367686
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H12F2N2O3/c1-8(17)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)18(19)20/h2-8H,17H2,1H3
InChIKeyWPOCCISRHLJKSO-UHFFFAOYSA-N
XLogP3.68
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.68
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'}

Analyze 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369894
(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
CID 63370152
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937894
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
(1S)-1-[3-bromo-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369927
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine (CID 62367686) is 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is WPOCCISRHLJKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-8(17)9-2-4-13(11(16)6-9)21-14-5-3-10(15)7-12(14)18(19)20/h2-8H,17H2,1H3.
What are the key properties of 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine has a molecular weight of 294.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 62367686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).