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

C7H15FN2 — CID 20763628

IUPAC1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1(F)CCN(C)C1
InChIInChI=1S/C7H15FN2/c1-6(9)7(8)3-4-10(2)5-7/h6H,3-5,9H2,1-2H3
InChIKeyRVVMAJLHZZXDLV-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.38
Rot. Bonds1

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

1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 20763628) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine
PubChem CID20763628
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1(F)CCN(C)C1
InChIInChI=1S/C7H15FN2/c1-6(9)7(8)3-4-10(2)5-7/h6H,3-5,9H2,1-2H3
InChIKeyRVVMAJLHZZXDLV-UHFFFAOYSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine (CID 20763628) is 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine is CC(N)C1(F)CCN(C)C1.
What is the InChIKey of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is RVVMAJLHZZXDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6(9)7(8)3-4-10(2)5-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine?
1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).