1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine

C11H12FN3 — CID 43162896

IUPAC1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESNC(Cc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-6,10H,7,13H2,(H,14,15)
InChIKeyZNHDRJGLSFVGMM-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.79
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine

1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine (PubChem CID 43162896) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine
PubChem CID43162896
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine
SMILESNC(Cc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-6,10H,7,13H2,(H,14,15)
InChIKeyZNHDRJGLSFVGMM-UHFFFAOYSA-N
XLogP1.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(2-fluoro-5-methylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 62516018
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(3-fluorophenyl)-(1H-imidazol-2-yl)methanol
CID 66771409
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine (CID 43162896) is 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine is NC(Cc1ncc[nH]1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine?
The InChIKey is ZNHDRJGLSFVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-9-3-1-2-8(6-9)10(13)7-11-14-4-5-15-11/h1-6,10H,7,13H2,(H,14,15).
What are the key properties of 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine?
1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine has a molecular weight of 205.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 43162896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).