2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline

C12H17FN2O — CID 60790067

IUPAC2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
SMILESCC1(C)CN(c2cccc(F)c2N)CCO1
InChIInChI=1S/C12H17FN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyRYLXBSHCPJCFKC-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.02
Rot. Bonds1

About 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline

2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline (PubChem CID 60790067) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
PubChem CID60790067
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
SMILESCC1(C)CN(c2cccc(F)c2N)CCO1
InChIInChI=1S/C12H17FN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyRYLXBSHCPJCFKC-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline (CID 60790067) is 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline is CC1(C)CN(c2cccc(F)c2N)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline?
The InChIKey is RYLXBSHCPJCFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline?
2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline has a molecular weight of 224.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline is sourced from PubChem (CID 60790067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).