1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine

C9H19FN2O — CID 58945141

IUPAC1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)C1CN(C)CC1F
InChIInChI=1S/C9H19FN2O/c1-11-9(6-13-3)7-4-12(2)5-8(7)10/h7-9,11H,4-6H2,1-3H3
InChIKeyVLGXQXCQZXPSKV-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.12
Rot. Bonds4

About 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine

1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine (PubChem CID 58945141) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine
PubChem CID58945141
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)C1CN(C)CC1F
InChIInChI=1S/C9H19FN2O/c1-11-9(6-13-3)7-4-12(2)5-8(7)10/h7-9,11H,4-6H2,1-3H3
InChIKeyVLGXQXCQZXPSKV-UHFFFAOYSA-N
XLogP0.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine 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 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine (CID 58945141) is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine is CNC(COC)C1CN(C)CC1F.
What is the InChIKey of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine?
The InChIKey is VLGXQXCQZXPSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-11-9(6-13-3)7-4-12(2)5-8(7)10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine?
1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine has a molecular weight of 190.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 58945141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).