[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone

C13H17FN2O3 — CID 145213488

IUPAC[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone
SMILESCNc1cc(F)c(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H17FN2O3/c1-15-11-8-10(14)9(7-12(11)18-2)13(17)16-3-5-19-6-4-16/h7-8,15H,3-6H2,1-2H3
InChIKeyBUHUAMOBUOXCBZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.35
Rot. Bonds3

About [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone

[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 145213488) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID145213488
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone
SMILESCNc1cc(F)c(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H17FN2O3/c1-15-11-8-10(14)9(7-12(11)18-2)13(17)16-3-5-19-6-4-16/h7-8,15H,3-6H2,1-2H3
InChIKeyBUHUAMOBUOXCBZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone (CID 145213488) is [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone is CNc1cc(F)c(C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is BUHUAMOBUOXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-15-11-8-10(14)9(7-12(11)18-2)13(17)16-3-5-19-6-4-16/h7-8,15H,3-6H2,1-2H3.
What are the key properties of [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone?
[2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 268.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 145213488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).