[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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Related Compounds

[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117418091
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorobenzene-1,2-diol
CID 117353445
5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117492434
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline
CID 82507077
[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429396
[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117399888
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358

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).