1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine

C13H15ClFN3 — CID 114885900

IUPAC1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFN3/c1-2-18-6-5-17-13(18)8-12(16)10-7-9(14)3-4-11(10)15/h3-7,12H,2,8,16H2,1H3
InChIKeyCPYPPBJINKEDTQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.94
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine

1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 114885900) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID114885900
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFN3/c1-2-18-6-5-17-13(18)8-12(16)10-7-9(14)3-4-11(10)15/h3-7,12H,2,8,16H2,1H3
InChIKeyCPYPPBJINKEDTQ-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

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine (CID 114885900) is 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1CC(N)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is CPYPPBJINKEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-18-6-5-17-13(18)8-12(16)10-7-9(14)3-4-11(10)15/h3-7,12H,2,8,16H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine?
1-(5-chloro-2-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-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 114885900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).