4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine

C12H19FN2O — CID 71034450

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
SMILESC[C@@H]1CN(C2CC=C(N)C=C2F)C[C@H](C)O1
InChIInChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(14)5-11(12)13/h3,5,8-9,12H,4,6-7,14H2,1-2H3/t8-,9+,12?
InChIKeyJLDDUCHENUQNCO-USUYBEQLSA-N
MW226.29 g/mol
LogP1.56
Rot. Bonds1

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 71034450) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
PubChem CID71034450
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
SMILESC[C@@H]1CN(C2CC=C(N)C=C2F)C[C@H](C)O1
InChIInChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(14)5-11(12)13/h3,5,8-9,12H,4,6-7,14H2,1-2H3/t8-,9+,12?
InChIKeyJLDDUCHENUQNCO-USUYBEQLSA-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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine (CID 71034450) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine is C[C@@H]1CN(C2CC=C(N)C=C2F)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is JLDDUCHENUQNCO-USUYBEQLSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8-6-15(7-9(2)16-8)12-4-3-10(14)5-11(12)13/h3,5,8-9,12H,4,6-7,14H2,1-2H3/t8-,9+,12?.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71034450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).