2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine

C9H17F3N2 — CID 102775663

IUPAC2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC1CCNC1CN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7-3-4-13-8(7)5-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyIHEQVHBHZNRURF-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 102775663) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID102775663
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC1CCNC1CN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-7-3-4-13-8(7)5-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyIHEQVHBHZNRURF-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine 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 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine (CID 102775663) is 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine is CC1CCNC1CN(C)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is IHEQVHBHZNRURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-7-3-4-13-8(7)5-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 102775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).