2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine

C13H21FN2O — CID 70892573

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(F)C=C1N1CC(C)OC(C)C1
InChIInChI=1S/C13H21FN2O/c1-9-7-16(8-10(2)17-9)13-6-11(14)4-5-12(13)15-3/h4,6,9-10,12,15H,5,7-8H2,1-3H3
InChIKeyUINAMGHBDNLTBB-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.82
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine

2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 70892573) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID70892573
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(F)C=C1N1CC(C)OC(C)C1
InChIInChI=1S/C13H21FN2O/c1-9-7-16(8-10(2)17-9)13-6-11(14)4-5-12(13)15-3/h4,6,9-10,12,15H,5,7-8H2,1-3H3
InChIKeyUINAMGHBDNLTBB-UHFFFAOYSA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine (CID 70892573) is 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine is CNC1CC=C(F)C=C1N1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is UINAMGHBDNLTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9-7-16(8-10(2)17-9)13-6-11(14)4-5-12(13)15-3/h4,6,9-10,12,15H,5,7-8H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine?
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 240.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).