4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine

C12H19FN2O — CID 70892539

IUPAC4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
SMILESCC1CN(C2C=C(F)C(N)=CC2)CC(C)O1
InChIInChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)10-3-4-12(14)11(13)5-10/h4-5,8-10H,3,6-7,14H2,1-2H3
InChIKeyXEBCLGRUSISBRQ-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.56
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine

4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 70892539) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
PubChem CID70892539
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
SMILESCC1CN(C2C=C(F)C(N)=CC2)CC(C)O1
InChIInChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)10-3-4-12(14)11(13)5-10/h4-5,8-10H,3,6-7,14H2,1-2H3
InChIKeyXEBCLGRUSISBRQ-UHFFFAOYSA-N
XLogP1.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine (CID 70892539) is 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine is CC1CN(C2C=C(F)C(N)=CC2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is XEBCLGRUSISBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)10-3-4-12(14)11(13)5-10/h4-5,8-10H,3,6-7,14H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 226.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70892539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).