1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine

C14H13FN2O3 — CID 61031257

IUPAC1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c1-9(16)13-8-10(15)2-7-14(13)20-12-5-3-11(4-6-12)17(18)19/h2-9H,16H2,1H3
InChIKeyUMYCPOOXPDHCFY-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.55
Rot. Bonds4

About 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine

1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine (PubChem CID 61031257) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
PubChem CID61031257
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c1-9(16)13-8-10(15)2-7-14(13)20-12-5-3-11(4-6-12)17(18)19/h2-9H,16H2,1H3
InChIKeyUMYCPOOXPDHCFY-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'}

Analyze 1-[5-fluoro-2-(4-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-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
1-[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 103010640
(1R)-1-[2-(2-bromo-5-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 103010611
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
(1S)-1-[2-(4-bromo-2-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 65429807
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717188
1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 81495787

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine (CID 61031257) is 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine is CC(N)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine?
The InChIKey is UMYCPOOXPDHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9(16)13-8-10(15)2-7-14(13)20-12-5-3-11(4-6-12)17(18)19/h2-9H,16H2,1H3.
What are the key properties of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine?
1-[5-fluoro-2-(4-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-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 61031257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).