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

C15H15FN2O3 — CID 61032294

IUPAC1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10(17-2)11-7-8-14(12(16)9-11)21-15-6-4-3-5-13(15)18(19)20/h3-10,17H,1-2H3
InChIKeyNQNRPTRXUJFDQR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.81
Rot. Bonds5

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

1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine (PubChem CID 61032294) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
PubChem CID61032294
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10(17-2)11-7-8-14(12(16)9-11)21-15-6-4-3-5-13(15)18(19)20/h3-10,17H,1-2H3
InChIKeyNQNRPTRXUJFDQR-UHFFFAOYSA-N
XLogP3.81
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.81
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

(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
CID 63370152
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
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
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
1-[2-(4-bromo-2-nitrophenoxy)phenyl]-N-methylethanamine
CID 65430547
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937894
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine (CID 61032294) is 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine?
The InChIKey is NQNRPTRXUJFDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10(17-2)11-7-8-14(12(16)9-11)21-15-6-4-3-5-13(15)18(19)20/h3-10,17H,1-2H3.
What are the key properties of 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 61032294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).