1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine

C13H16FN3 — CID 63969593

IUPAC1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCn1ccnc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-2-17-7-6-16-13(17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3
InChIKeyPXMUIMRTTKOKDU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.28
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine

1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 63969593) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID63969593
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCn1ccnc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-2-17-7-6-16-13(17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3
InChIKeyPXMUIMRTTKOKDU-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 113421578
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 82805348
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one
CID 133447289
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine (CID 63969593) is 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine is CCn1ccnc1C(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is PXMUIMRTTKOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-17-7-6-16-13(17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine?
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63969593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).