2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine

C15H15ClF2N2 — CID 103040362

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ncccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-19-14(15-13(18)4-3-7-20-15)9-10-5-6-12(17)11(16)8-10/h3-8,14,19H,2,9H2,1H3
InChIKeyLESFDUBDNVUPEN-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine (PubChem CID 103040362) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
PubChem CID103040362
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1ncccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-19-14(15-13(18)4-3-7-20-15)9-10-5-6-12(17)11(16)8-10/h3-8,14,19H,2,9H2,1H3
InChIKeyLESFDUBDNVUPEN-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-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107885135
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 103039972
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
1-(3-bromo-2-pyridinyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049088
N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050554
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine (CID 103040362) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine is CCNC(Cc1ccc(F)c(Cl)c1)c1ncccc1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine?
The InChIKey is LESFDUBDNVUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-19-14(15-13(18)4-3-7-20-15)9-10-5-6-12(17)11(16)8-10/h3-8,14,19H,2,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-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-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 103040362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).