1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine

C13H15ClFN3 — CID 105009254

IUPAC1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-2-18-7-6-17-12(18)8-11(16)13-9(14)4-3-5-10(13)15/h3-7,11H,2,8,16H2,1H3
InChIKeyCONPKJUYIQSXEI-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine

1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009254) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009254
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-2-18-7-6-17-12(18)8-11(16)13-9(14)4-3-5-10(13)15/h3-7,11H,2,8,16H2,1H3
InChIKeyCONPKJUYIQSXEI-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-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-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018
[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 103445832
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009254) is 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1CC(N)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is CONPKJUYIQSXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-18-7-6-17-12(18)8-11(16)13-9(14)4-3-5-10(13)15/h3-7,11H,2,8,16H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).