4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine

C8H17FN2O — CID 176675939

IUPAC4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCOCCNC1CN(C)CC1F
InChIInChI=1S/C8H17FN2O/c1-11-5-7(9)8(6-11)10-3-4-12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyBTFGUADUNMWOSM-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.13
Rot. Bonds4

About 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine

4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine (PubChem CID 176675939) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine
PubChem CID176675939
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCOCCNC1CN(C)CC1F
InChIInChI=1S/C8H17FN2O/c1-11-5-7(9)8(6-11)10-3-4-12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyBTFGUADUNMWOSM-UHFFFAOYSA-N
XLogP-0.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.13
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 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine (CID 176675939) is 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine is COCCNC1CN(C)CC1F.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is BTFGUADUNMWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-11-5-7(9)8(6-11)10-3-4-12-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine?
4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 176.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 176675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).