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

C13H25F3N2O — CID 63828423

IUPAC2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(2,3)17-8-11-4-5-18(9-11)6-7-19-10-13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyQPAFYEYBTSJFDS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds6

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

2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63828423) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63828423
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-2-amine
SMILESCC(C)(C)NCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(2,3)17-8-11-4-5-18(9-11)6-7-19-10-13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyQPAFYEYBTSJFDS-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 63828423) is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCN(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-2-amine?
The InChIKey is QPAFYEYBTSJFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(2,3)17-8-11-4-5-18(9-11)6-7-19-10-13(14,15)16/h11,17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 6 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-2-amine is sourced from PubChem (CID 63828423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).