2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine

C13H25F3N2O — CID 63828247

IUPAC2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-11(2)7-17-8-12-3-4-18(9-12)5-6-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyBSQXYLAUXJMYJG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.13
Rot. Bonds8

About 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 63828247) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID63828247
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-11(2)7-17-8-12-3-4-18(9-12)5-6-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyBSQXYLAUXJMYJG-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 63828247) is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(CCOCC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is BSQXYLAUXJMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2)7-17-8-12-3-4-18(9-12)5-6-19-10-13(14,15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63828247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).