2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine

C14H16F3N3O — CID 105009337

IUPAC2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCn1ccnc1CC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-2-20-8-7-19-13(20)9-12(18)10-3-5-11(6-4-10)21-14(15,16)17/h3-8,12H,2,9,18H2,1H3
InChIKeyRBRZGCGCRMJEQW-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine

2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 105009337) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID105009337
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCn1ccnc1CC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-2-20-8-7-19-13(20)9-12(18)10-3-5-11(6-4-10)21-14(15,16)17/h3-8,12H,2,9,18H2,1H3
InChIKeyRBRZGCGCRMJEQW-UHFFFAOYSA-N
XLogP3.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]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

3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
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-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
[2-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192874
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 105009337) is 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is CCn1ccnc1CC(N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is RBRZGCGCRMJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-20-8-7-19-13(20)9-12(18)10-3-5-11(6-4-10)21-14(15,16)17/h3-8,12H,2,9,18H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 299.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 105009337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).