[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H19FN4 — CID 117438516

IUPAC[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C15H19FN4/c1-19-9-11(8-17)6-15(19)12-2-3-14(13(16)7-12)20-5-4-18-10-20/h2-5,7,10-11,15H,6,8-9,17H2,1H3
InChIKeyRZGNQSOLKFKATG-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.96
Rot. Bonds3

About [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117438516) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117438516
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C15H19FN4/c1-19-9-11(8-17)6-15(19)12-2-3-14(13(16)7-12)20-5-4-18-10-20/h2-5,7,10-11,15H,6,8-9,17H2,1H3
InChIKeyRZGNQSOLKFKATG-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117438516) is [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is RZGNQSOLKFKATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19-9-11(8-17)6-15(19)12-2-3-14(13(16)7-12)20-5-4-18-10-20/h2-5,7,10-11,15H,6,8-9,17H2,1H3.
What are the key properties of [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 274.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117438516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).