2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

C15H15ClF2N2 — CID 114856477

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cn1
InChIInChI=1S/C15H15ClF2N2/c1-2-19-15(14-6-5-12(17)9-20-14)7-10-3-4-11(16)8-13(10)18/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyUSBURMJZWWAXII-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 114856477) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID114856477
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cn1
InChIInChI=1S/C15H15ClF2N2/c1-2-19-15(14-6-5-12(17)9-20-14)7-10-3-4-11(16)8-13(10)18/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyUSBURMJZWWAXII-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 114855242
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (CID 114856477) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is USBURMJZWWAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-19-15(14-6-5-12(17)9-20-14)7-10-3-4-11(16)8-13(10)18/h3-6,8-9,15,19H,2,7H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 296.75 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 114856477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).