N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine

C7H15FN2 — CID 89175469

IUPACN-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine
SMILESCCNCN1CCC(F)C1
InChIInChI=1S/C7H15FN2/c1-2-9-6-10-4-3-7(8)5-10/h7,9H,2-6H2,1H3
InChIKeyPITUNXAVZYFVPL-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.60
Rot. Bonds3

About N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine

N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine (PubChem CID 89175469) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine
PubChem CID89175469
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC NameN-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine
SMILESCCNCN1CCC(F)C1
InChIInChI=1S/C7H15FN2/c1-2-9-6-10-4-3-7(8)5-10/h7,9H,2-6H2,1H3
InChIKeyPITUNXAVZYFVPL-UHFFFAOYSA-N
XLogP0.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine (CID 89175469) is N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine is CCNCN1CCC(F)C1.
What is the InChIKey of N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine?
The InChIKey is PITUNXAVZYFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-2-9-6-10-4-3-7(8)5-10/h7,9H,2-6H2,1H3.
What are the key properties of N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine?
N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropyrrolidin-1-yl)methyl]ethanamine is sourced from PubChem (CID 89175469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).