2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine

C7H15FN2 — CID 14307756

IUPAC2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESFCCNCC1CCNC1
InChIInChI=1S/C7H15FN2/c8-2-4-10-6-7-1-3-9-5-7/h7,9-10H,1-6H2
InChIKeyDLZDQIYVNYIQJQ-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.16
Rot. Bonds4

About 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine

2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 14307756) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID14307756
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESFCCNCC1CCNC1
InChIInChI=1S/C7H15FN2/c8-2-4-10-6-7-1-3-9-5-7/h7,9-10H,1-6H2
InChIKeyDLZDQIYVNYIQJQ-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.16
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-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 14307756) is 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine is FCCNCC1CCNC1.
What is the InChIKey of 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is DLZDQIYVNYIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c8-2-4-10-6-7-1-3-9-5-7/h7,9-10H,1-6H2.
What are the key properties of 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine?
2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 14307756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).