2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine

C13H16FN3 — CID 55064925

IUPAC2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCc1ncn(C(CN)c2cccc(F)c2)c1C
InChIInChI=1S/C13H16FN3/c1-9-10(2)17(8-16-9)13(7-15)11-4-3-5-12(14)6-11/h3-6,8,13H,7,15H2,1-2H3
InChIKeyNBCVFBSPEZXJLZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine

2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 55064925) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID55064925
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCc1ncn(C(CN)c2cccc(F)c2)c1C
InChIInChI=1S/C13H16FN3/c1-9-10(2)17(8-16-9)13(7-15)11-4-3-5-12(14)6-11/h3-6,8,13H,7,15H2,1-2H3
InChIKeyNBCVFBSPEZXJLZ-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 105452091
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83987350
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441071
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine (CID 55064925) is 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine is Cc1ncn(C(CN)c2cccc(F)c2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is NBCVFBSPEZXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-10(2)17(8-16-9)13(7-15)11-4-3-5-12(14)6-11/h3-6,8,13H,7,15H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine?
2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 55064925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).