1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine

C13H16FN3 — CID 106557413

IUPAC1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10-9-17(13(15-2)16-10)8-7-11-5-3-4-6-12(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyNWQDGXLYMXOTLP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine

1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106557413) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
PubChem CID106557413
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-10-9-17(13(15-2)16-10)8-7-11-5-3-4-6-12(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyNWQDGXLYMXOTLP-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
CID 106559102
N,4-dimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571785
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
2-[1-[(2-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336596
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
N,4-dimethyl-1-(4-methylsulfanylbutyl)imidazol-2-amine
CID 106579956
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708000
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
N-[1-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106564579
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
N-(2,6-diethylphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106556075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine (CID 106557413) is 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1CCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is NWQDGXLYMXOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-9-17(13(15-2)16-10)8-7-11-5-3-4-6-12(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine?
1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106557413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).