2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

C14H15ClFN3 — CID 79723632

IUPAC2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H15ClFN3/c1-2-18-14(13-4-3-11(16)8-19-13)7-10-5-6-17-9-12(10)15/h3-6,8-9,14,18H,2,7H2,1H3
InChIKeyAWQMKDWLYFVAQM-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79723632) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79723632
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H15ClFN3/c1-2-18-14(13-4-3-11(16)8-19-13)7-10-5-6-17-9-12(10)15/h3-6,8-9,14,18H,2,7H2,1H3
InChIKeyAWQMKDWLYFVAQM-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine with MolForge

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
[2-(3-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192720

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79723632) is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is CCNC(Cc1ccncc1Cl)c1ccc(F)cn1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is AWQMKDWLYFVAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-18-14(13-4-3-11(16)8-19-13)7-10-5-6-17-9-12(10)15/h3-6,8-9,14,18H,2,7H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79723632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).