N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine

C9H19FN2 — CID 135012454

IUPACN-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine
SMILESCCN(CC)C(F)N1CCCC1
InChIInChI=1S/C9H19FN2/c1-3-11(4-2)9(10)12-7-5-6-8-12/h9H,3-8H2,1-2H3
InChIKeyUKKPYQBWUHWWGW-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.68
Rot. Bonds4

About N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine

N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine (PubChem CID 135012454) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine
PubChem CID135012454
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine
SMILESCCN(CC)C(F)N1CCCC1
InChIInChI=1S/C9H19FN2/c1-3-11(4-2)9(10)12-7-5-6-8-12/h9H,3-8H2,1-2H3
InChIKeyUKKPYQBWUHWWGW-UHFFFAOYSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-ethyl-N-[fluoro(pyrrolidin-1-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 N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine (CID 135012454) is N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine is CCN(CC)C(F)N1CCCC1.
What is the InChIKey of N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine?
The InChIKey is UKKPYQBWUHWWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-3-11(4-2)9(10)12-7-5-6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine?
N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine has a molecular weight of 174.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[fluoro(pyrrolidin-1-yl)methyl]ethanamine is sourced from PubChem (CID 135012454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).