5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline

C13H19FN2O2 — CID 59452886

IUPAC5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline
SMILESCOc1cc(CCN2CCOCC2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-17-13-8-10(11(14)9-12(13)15)2-3-16-4-6-18-7-5-16/h8-9H,2-7,15H2,1H3
InChIKeyQCEYIXIQRAGVLA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.29
Rot. Bonds4

About 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline

5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline (PubChem CID 59452886) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline
PubChem CID59452886
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline
SMILESCOc1cc(CCN2CCOCC2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-17-13-8-10(11(14)9-12(13)15)2-3-16-4-6-18-7-5-16/h8-9H,2-7,15H2,1H3
InChIKeyQCEYIXIQRAGVLA-UHFFFAOYSA-N
XLogP1.29
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline (CID 59452886) is 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline is COc1cc(CCN2CCOCC2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline?
The InChIKey is QCEYIXIQRAGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-17-13-8-10(11(14)9-12(13)15)2-3-16-4-6-18-7-5-16/h8-9H,2-7,15H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline?
5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline has a molecular weight of 254.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 59452886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).