N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

C10H21FN2O — CID 80696040

IUPACN-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CCF
InChIInChI=1S/C10H21FN2O/c1-14-8-5-12-9-10-3-2-6-13(10)7-4-11/h10,12H,2-9H2,1H3
InChIKeyAXXSAUHGANISRN-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.66
Rot. Bonds7

About N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 80696040) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID80696040
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC NameN-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CCF
InChIInChI=1S/C10H21FN2O/c1-14-8-5-12-9-10-3-2-6-13(10)7-4-11/h10,12H,2-9H2,1H3
InChIKeyAXXSAUHGANISRN-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (CID 80696040) is N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN1CCF.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is AXXSAUHGANISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-14-8-5-12-9-10-3-2-6-13(10)7-4-11/h10,12H,2-9H2,1H3.
What are the key properties of N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 204.29 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80696040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).