1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine

C14H21FN2O — CID 43313695

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CC(C)OC(C)C1
InChIInChI=1S/C14H21FN2O/c1-10-8-17(9-11(2)18-10)14-5-4-13(15)6-12(14)7-16-3/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyGCRDUOIUMCIKPE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds3

About 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine

1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43313695) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43313695
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1N1CC(C)OC(C)C1
InChIInChI=1S/C14H21FN2O/c1-10-8-17(9-11(2)18-10)14-5-4-13(15)6-12(14)7-16-3/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyGCRDUOIUMCIKPE-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine (CID 43313695) is 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1N1CC(C)OC(C)C1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is GCRDUOIUMCIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-8-17(9-11(2)18-10)14-5-4-13(15)6-12(14)7-16-3/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43313695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).