[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine

C14H20F2N2O — CID 63078187

IUPAC[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
SMILESCCC1COC(C)CN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-11-8-19-9(2)7-18(11)14-12(15)4-10(6-17)5-13(14)16/h4-5,9,11H,3,6-8,17H2,1-2H3
InChIKeySIOBCFQXOJOQGW-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.43
Rot. Bonds3

About [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine

[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine (PubChem CID 63078187) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
PubChem CID63078187
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
SMILESCCC1COC(C)CN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-11-8-19-9(2)7-18(11)14-12(15)4-10(6-17)5-13(14)16/h4-5,9,11H,3,6-8,17H2,1-2H3
InChIKeySIOBCFQXOJOQGW-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine (CID 63078187) is [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine is CCC1COC(C)CN1c1c(F)cc(CN)cc1F.
What is the InChIKey of [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
The InChIKey is SIOBCFQXOJOQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-11-8-19-9(2)7-18(11)14-12(15)4-10(6-17)5-13(14)16/h4-5,9,11H,3,6-8,17H2,1-2H3.
What are the key properties of [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine?
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine has a molecular weight of 270.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 63078187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).