4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine

C12H23F3N2O — CID 79093176

IUPAC4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C12H23F3N2O/c1-3-6-16-10(4-5-12(13,14)15)11-9-17(2)7-8-18-11/h10-11,16H,3-9H2,1-2H3
InChIKeyHTSKZINJPITKCX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds6

About 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine (PubChem CID 79093176) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine
PubChem CID79093176
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C12H23F3N2O/c1-3-6-16-10(4-5-12(13,14)15)11-9-17(2)7-8-18-11/h10-11,16H,3-9H2,1-2H3
InChIKeyHTSKZINJPITKCX-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine 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 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine (CID 79093176) is 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1CN(C)CCO1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine?
The InChIKey is HTSKZINJPITKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-6-16-10(4-5-12(13,14)15)11-9-17(2)7-8-18-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79093176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).