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

C14H17ClFN3 — CID 107885107

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cncn1C
InChIInChI=1S/C14H17ClFN3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyUOXCIIXUDYULSO-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.11
Rot. Bonds5

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

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 107885107) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID107885107
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cncn1C
InChIInChI=1S/C14H17ClFN3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyUOXCIIXUDYULSO-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107892213
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
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
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
CID 114012745
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (CID 107885107) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1cncn1C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is UOXCIIXUDYULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107885107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).