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

C7H15FN2 — CID 20763665

IUPAC2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)CF)C1
InChIInChI=1S/C7H15FN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3
InChIKeyKQOIIBPCKFCPMM-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.23
Rot. Bonds2

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

2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 20763665) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID20763665
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCN1CCC(C(N)CF)C1
InChIInChI=1S/C7H15FN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3
InChIKeyKQOIIBPCKFCPMM-UHFFFAOYSA-N
XLogP0.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 20763665) is 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine is CN1CCC(C(N)CF)C1.
What is the InChIKey of 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is KQOIIBPCKFCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-10-3-2-6(5-10)7(9)4-8/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine?
2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).