2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine

C8H17FN2 — CID 105431485

IUPAC2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCNCC(F)C1CCN(C)C1
InChIInChI=1S/C8H17FN2/c1-10-5-8(9)7-3-4-11(2)6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyISFGOSWZOZLJCA-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.50
Rot. Bonds3

About 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine

2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 105431485) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID105431485
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCNCC(F)C1CCN(C)C1
InChIInChI=1S/C8H17FN2/c1-10-5-8(9)7-3-4-11(2)6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyISFGOSWZOZLJCA-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine (CID 105431485) is 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine is CNCC(F)C1CCN(C)C1.
What is the InChIKey of 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is ISFGOSWZOZLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-5-8(9)7-3-4-11(2)6-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine?
2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 105431485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).