3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine

C12H23F3N2O — CID 115688276

IUPAC3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCOCC(C)CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(8-18-2)5-16-6-11-3-4-17(7-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKFNUJNONRGFJFO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.74
Rot. Bonds7

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

3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 115688276) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID115688276
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCOCC(C)CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(8-18-2)5-16-6-11-3-4-17(7-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKFNUJNONRGFJFO-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 115688276) is 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine is COCC(C)CNCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is KFNUJNONRGFJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(8-18-2)5-16-6-11-3-4-17(7-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 115688276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).