2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine

C14H18FN3 — CID 79751964

IUPAC2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-18-7-6-17-14(18)9-13(16)12-8-11(15)5-4-10(12)2/h4-8,13H,3,9,16H2,1-2H3
InChIKeyIHBCRTYKHNBGFP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine

2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 79751964) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID79751964
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(F)ccc1C
InChIInChI=1S/C14H18FN3/c1-3-18-7-6-17-14(18)9-13(16)12-8-11(15)5-4-10(12)2/h4-8,13H,3,9,16H2,1-2H3
InChIKeyIHBCRTYKHNBGFP-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
1-(3,5-dimethyl-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 113365596
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (CID 79751964) is 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine is CCn1ccnc1CC(N)c1cc(F)ccc1C.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is IHBCRTYKHNBGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-18-7-6-17-14(18)9-13(16)12-8-11(15)5-4-10(12)2/h4-8,13H,3,9,16H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 79751964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).