5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine

C10H14FN3O — CID 59279231

IUPAC5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine
SMILESNc1cc(F)cc(N2CCOCC2)c1N
InChIInChI=1S/C10H14FN3O/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4,12-13H2
InChIKeyYWZLEBOEZICPBB-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.83
Rot. Bonds1

About 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine

5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine (PubChem CID 59279231) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine
PubChem CID59279231
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine
SMILESNc1cc(F)cc(N2CCOCC2)c1N
InChIInChI=1S/C10H14FN3O/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4,12-13H2
InChIKeyYWZLEBOEZICPBB-UHFFFAOYSA-N
XLogP0.83
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
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-3-morpholin-4-ylbenzene-1,2-diamine?
The IUPAC name of 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine (CID 59279231) is 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine is Nc1cc(F)cc(N2CCOCC2)c1N.
What is the InChIKey of 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine?
The InChIKey is YWZLEBOEZICPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4,12-13H2.
What are the key properties of 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine?
5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine has a molecular weight of 211.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-morpholin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 59279231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).