2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine

C15H15ClF2N2 — CID 103053108

IUPAC2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1cncc(F)c1
InChIInChI=1S/C15H15ClF2N2/c1-2-20-15(11-6-13(17)9-19-8-11)7-10-5-12(16)3-4-14(10)18/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyLKCQCZWMSAWFOL-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.91
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine

2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 103053108) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID103053108
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1cncc(F)c1
InChIInChI=1S/C15H15ClF2N2/c1-2-20-15(11-6-13(17)9-19-8-11)7-10-5-12(16)3-4-14(10)18/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyLKCQCZWMSAWFOL-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-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 103052866
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
CID 103048972

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 103053108) is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is CCNC(Cc1cc(Cl)ccc1F)c1cncc(F)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is LKCQCZWMSAWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-20-15(11-6-13(17)9-19-8-11)7-10-5-12(16)3-4-14(10)18/h3-6,8-9,15,20H,2,7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-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-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 103053108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).