2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine

C13H15ClFN3 — CID 114012745

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ncc[nH]1
InChIInChI=1S/C13H15ClFN3/c1-2-16-12(13-17-5-6-18-13)8-9-3-4-10(14)11(15)7-9/h3-7,12,16H,2,8H2,1H3,(H,17,18)
InChIKeyIIDHQGAEZOLSBQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine (PubChem CID 114012745) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
PubChem CID114012745
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ncc[nH]1
InChIInChI=1S/C13H15ClFN3/c1-2-16-12(13-17-5-6-18-13)8-9-3-4-10(14)11(15)7-9/h3-7,12,16H,2,8H2,1H3,(H,17,18)
InChIKeyIIDHQGAEZOLSBQ-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 107884317
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107885135
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107892213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine (CID 114012745) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1ncc[nH]1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine?
The InChIKey is IIDHQGAEZOLSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-16-12(13-17-5-6-18-13)8-9-3-4-10(14)11(15)7-9/h3-7,12,16H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 114012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).