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

C14H13FN2O3 — CID 63370152

IUPAC(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H13FN2O3/c1-9(16)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyHROXUANQKOSDAI-SECBINFHSA-N
MW276.27 g/mol
LogP3.55
Rot. Bonds4

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

(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine (PubChem CID 63370152) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
PubChem CID63370152
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H13FN2O3/c1-9(16)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyHROXUANQKOSDAI-SECBINFHSA-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-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367686
(1R)-1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369894
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937894
1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
CID 61032294
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
(1S)-1-[3-bromo-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369927
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine (CID 63370152) is (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is HROXUANQKOSDAI-SECBINFHSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9(16)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)17(18)19/h2-9H,16H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(2-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 (1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).