N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

C11H23FN2O — CID 81107336

IUPACN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CCCF
InChIInChI=1S/C11H23FN2O/c1-15-9-6-13-10-11-4-2-7-14(11)8-3-5-12/h11,13H,2-10H2,1H3
InChIKeyBXEYILJQQJEBAU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.05
Rot. Bonds8

About N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 81107336) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID81107336
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC NameN-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN1CCCF
InChIInChI=1S/C11H23FN2O/c1-15-9-6-13-10-11-4-2-7-14(11)8-3-5-12/h11,13H,2-10H2,1H3
InChIKeyBXEYILJQQJEBAU-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine (CID 81107336) is N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN1CCCF.
What is the InChIKey of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is BXEYILJQQJEBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-15-9-6-13-10-11-4-2-7-14(11)8-3-5-12/h11,13H,2-10H2,1H3.
What are the key properties of N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 218.32 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 81107336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).