N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide

C15H21FN4 — CID 122096032

IUPACN'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1c(F)cccc1N1CCCC1)N1CCC1
InChIInChI=1S/C15H21FN4/c16-13-5-3-6-14(19-7-1-2-8-19)12(13)11-18-15(17)20-9-4-10-20/h3,5-6H,1-2,4,7-11H2,(H2,17,18)
InChIKeyASZGBQREXYKMNB-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds3

About N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide

N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide (PubChem CID 122096032) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
PubChem CID122096032
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC NameN'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1c(F)cccc1N1CCCC1)N1CCC1
InChIInChI=1S/C15H21FN4/c16-13-5-3-6-14(19-7-1-2-8-19)12(13)11-18-15(17)20-9-4-10-20/h3,5-6H,1-2,4,7-11H2,(H2,17,18)
InChIKeyASZGBQREXYKMNB-UHFFFAOYSA-N
XLogP1.95
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide (CID 122096032) is N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide is N/C(=N\Cc1c(F)cccc1N1CCCC1)N1CCC1.
What is the InChIKey of N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide?
The InChIKey is ASZGBQREXYKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c16-13-5-3-6-14(19-7-1-2-8-19)12(13)11-18-15(17)20-9-4-10-20/h3,5-6H,1-2,4,7-11H2,(H2,17,18).
What are the key properties of N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide?
N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide has a molecular weight of 276.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122096032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).