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

C15H15FN2O3 — CID 78937894

IUPAC(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-5-15(13(7-9)18(19)20)21-14-6-4-11(10(2)17)8-12(14)16/h3-8,10H,17H2,1-2H3/t10-/m0/s1
InChIKeyUOWKSIJPBVFKJV-JTQLQIEISA-N
MW290.29 g/mol
LogP3.85
Rot. Bonds4

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

(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine (PubChem CID 78937894) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
PubChem CID78937894
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-5-15(13(7-9)18(19)20)21-14-6-4-11(10(2)17)8-12(14)16/h3-8,10H,17H2,1-2H3/t10-/m0/s1
InChIKeyUOWKSIJPBVFKJV-JTQLQIEISA-N
XLogP3.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.85
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
(1R)-1-[3-fluoro-4-(2-nitrophenoxy)phenyl]ethanamine
CID 63370152
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
1-[3-bromo-4-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 62911397
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine (CID 78937894) is (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccc([C@H](C)N)cc2F)c([N+](=O)[O-])c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is UOWKSIJPBVFKJV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-3-5-15(13(7-9)18(19)20)21-14-6-4-11(10(2)17)8-12(14)16/h3-8,10H,17H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine?
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 78937894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).