N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine

C16H22FN3 — CID 63071538

IUPACN-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1-c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C16H22FN3/c1-4-16-19-7-8-20(16)15-6-5-13(9-14(15)17)11-18-10-12(2)3/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeyOQTNTEJXIYNADV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.32
Rot. Bonds6

About N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63071538) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID63071538
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCc1nccn1-c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C16H22FN3/c1-4-16-19-7-8-20(16)15-6-5-13(9-14(15)17)11-18-10-12(2)3/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeyOQTNTEJXIYNADV-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
2-methyl-N-[[3-methyl-4-(2-methylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 55146656
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63552898
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 63071538) is N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine is CCc1nccn1-c1ccc(CNCC(C)C)cc1F.
What is the InChIKey of N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OQTNTEJXIYNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-16-19-7-8-20(16)15-6-5-13(9-14(15)17)11-18-10-12(2)3/h5-9,12,18H,4,10-11H2,1-3H3.
What are the key properties of N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).