4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine

C12H19FN2O — CID 70892383

IUPAC4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1CN(C2=CCC(N)C=C2)C(F)C(C)O1
InChIInChI=1S/C12H19FN2O/c1-8-7-15(12(13)9(2)16-8)11-5-3-10(14)4-6-11/h3,5-6,8-10,12H,4,7,14H2,1-2H3
InChIKeyCNPPQZNIXIWRQO-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.56
Rot. Bonds1

About 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine

4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 70892383) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
PubChem CID70892383
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1CN(C2=CCC(N)C=C2)C(F)C(C)O1
InChIInChI=1S/C12H19FN2O/c1-8-7-15(12(13)9(2)16-8)11-5-3-10(14)4-6-11/h3,5-6,8-10,12H,4,7,14H2,1-2H3
InChIKeyCNPPQZNIXIWRQO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine (CID 70892383) is 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine is CC1CN(C2=CCC(N)C=C2)C(F)C(C)O1.
What is the InChIKey of 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is CNPPQZNIXIWRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8-7-15(12(13)9(2)16-8)11-5-3-10(14)4-6-11/h3,5-6,8-10,12H,4,7,14H2,1-2H3.
What are the key properties of 4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-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-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).