2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine

C7H15FN2 — CID 131045417

IUPAC2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine
SMILESCN1CC(CNCCF)C1
InChIInChI=1S/C7H15FN2/c1-10-5-7(6-10)4-9-3-2-8/h7,9H,2-6H2,1H3
InChIKeyBXAJFEKZMMFGSL-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.11
Rot. Bonds4

About 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine

2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine (PubChem CID 131045417) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine
PubChem CID131045417
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine
SMILESCN1CC(CNCCF)C1
InChIInChI=1S/C7H15FN2/c1-10-5-7(6-10)4-9-3-2-8/h7,9H,2-6H2,1H3
InChIKeyBXAJFEKZMMFGSL-UHFFFAOYSA-N
XLogP0.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine (CID 131045417) is 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine is CN1CC(CNCCF)C1.
What is the InChIKey of 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine?
The InChIKey is BXAJFEKZMMFGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-10-5-7(6-10)4-9-3-2-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine?
2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylazetidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 131045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).