4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine

C13H21FN2O — CID 70974453

IUPAC4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CN(C2=CC=C(N)C(F)C2C)CC(C)O1
InChIInChI=1S/C13H21FN2O/c1-8-6-16(7-9(2)17-8)12-5-4-11(15)13(14)10(12)3/h4-5,8-10,13H,6-7,15H2,1-3H3
InChIKeyBOFOHDLBPQJIJO-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.81
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine

4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 70974453) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID70974453
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CN(C2=CC=C(N)C(F)C2C)CC(C)O1
InChIInChI=1S/C13H21FN2O/c1-8-6-16(7-9(2)17-8)12-5-4-11(15)13(14)10(12)3/h4-5,8-10,13H,6-7,15H2,1-3H3
InChIKeyBOFOHDLBPQJIJO-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.81
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-fluoro-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine (CID 70974453) is 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine is CC1CN(C2=CC=C(N)C(F)C2C)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is BOFOHDLBPQJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-8-6-16(7-9(2)17-8)12-5-4-11(15)13(14)10(12)3/h4-5,8-10,13H,6-7,15H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 240.32 g/mol, XLogP of 1.81, 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-fluoro-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70974453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).