1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine

C14H18FN3 — CID 106564573

IUPAC1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C(C)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-10(2)17-14-16-8-9-18(14)11(3)12-6-4-5-7-13(12)15/h4-11H,1-3H3,(H,16,17)
InChIKeyCGGDIODYTNJTLC-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.45
Rot. Bonds4

About 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine

1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106564573) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106564573
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C(C)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-10(2)17-14-16-8-9-18(14)11(3)12-6-4-5-7-13(12)15/h4-11H,1-3H3,(H,16,17)
InChIKeyCGGDIODYTNJTLC-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine
CID 106564561
1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
CID 106566928
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567411
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
(1R)-1-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81380913
1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106573986
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine (CID 106564573) is 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1C(C)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is CGGDIODYTNJTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)17-14-16-8-9-18(14)11(3)12-6-4-5-7-13(12)15/h4-11H,1-3H3,(H,16,17).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine?
1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106564573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).