N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine

C7H15FN2O — CID 170278696

IUPACN-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine
SMILESCNOCCN1CCC(F)C1
InChIInChI=1S/C7H15FN2O/c1-9-11-5-4-10-3-2-7(8)6-10/h7,9H,2-6H2,1H3
InChIKeyMZPOFOSWGXNWQV-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.18
Rot. Bonds4

About N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine

N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine (PubChem CID 170278696) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine
PubChem CID170278696
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC NameN-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine
SMILESCNOCCN1CCC(F)C1
InChIInChI=1S/C7H15FN2O/c1-9-11-5-4-10-3-2-7(8)6-10/h7,9H,2-6H2,1H3
InChIKeyMZPOFOSWGXNWQV-UHFFFAOYSA-N
XLogP0.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine?
The IUPAC name of N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine (CID 170278696) is N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine.
What is the SMILES notation for N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine?
The canonical SMILES for N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine is CNOCCN1CCC(F)C1.
What is the InChIKey of N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine?
The InChIKey is MZPOFOSWGXNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-9-11-5-4-10-3-2-7(8)6-10/h7,9H,2-6H2,1H3.
What are the key properties of N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine?
N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine has a molecular weight of 162.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine is sourced from PubChem (CID 170278696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).