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

C8H17FN2 — CID 130504613

IUPAC2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC1CCNC1CNCCF
InChIInChI=1S/C8H17FN2/c1-7-2-4-11-8(7)6-10-5-3-9/h7-8,10-11H,2-6H2,1H3
InChIKeyMVINBGJNHCGANZ-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.54
Rot. Bonds4

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

2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 130504613) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID130504613
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC1CCNC1CNCCF
InChIInChI=1S/C8H17FN2/c1-7-2-4-11-8(7)6-10-5-3-9/h7-8,10-11H,2-6H2,1H3
InChIKeyMVINBGJNHCGANZ-UHFFFAOYSA-N
XLogP0.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
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-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine (CID 130504613) is 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine is CC1CCNC1CNCCF.
What is the InChIKey of 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is MVINBGJNHCGANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-7-2-4-11-8(7)6-10-5-3-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine?
2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 130504613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).