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

C12H14FN3 — CID 82285819

IUPAC2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(CCN)cn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9-15-11(5-6-14)8-16(9)12-4-2-3-10(13)7-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyHHPGSYHVVURHMU-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.82
Rot. Bonds3

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

2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine (PubChem CID 82285819) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
PubChem CID82285819
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(CCN)cn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9-15-11(5-6-14)8-16(9)12-4-2-3-10(13)7-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyHHPGSYHVVURHMU-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286825
1-(3-fluorophenyl)-2-methyl-4-nitroimidazole
CID 24756750
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
CID 82301682
2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 82304935
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879074
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116
3-(2,4-dimethylimidazol-1-yl)aniline
CID 82512201
4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
CID 83896480

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine (CID 82285819) is 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine is Cc1nc(CCN)cn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine?
The InChIKey is HHPGSYHVVURHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-15-11(5-6-14)8-16(9)12-4-2-3-10(13)7-12/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine?
2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 82285819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).