(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine

C13H16FN3 — CID 55182802

IUPAC(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1nccn1-c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C13H16FN3/c1-3-13-16-6-7-17(13)12-5-4-10(9(2)15)8-11(12)14/h4-9H,3,15H2,1-2H3/t9-/m0/s1
InChIKeyUKWTZFBOMFOVHO-VIFPVBQESA-N
MW233.29 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine

(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 55182802) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
PubChem CID55182802
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1nccn1-c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C13H16FN3/c1-3-13-16-6-7-17(13)12-5-4-10(9(2)15)8-11(12)14/h4-9H,3,15H2,1-2H3/t9-/m0/s1
InChIKeyUKWTZFBOMFOVHO-VIFPVBQESA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine
CID 43825683
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071538
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorophenyl]ethanamine
CID 63014492
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 43110460
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine (CID 55182802) is (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine is CCc1nccn1-c1ccc([C@H](C)N)cc1F.
What is the InChIKey of (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is UKWTZFBOMFOVHO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-13-16-6-7-17(13)12-5-4-10(9(2)15)8-11(12)14/h4-9H,3,15H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55182802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).