2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

C15H17ClFN3O — CID 104515541

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1nccnc1OC
InChIInChI=1S/C15H17ClFN3O/c1-3-18-13(14-15(21-2)20-8-7-19-14)9-10-11(16)5-4-6-12(10)17/h4-8,13,18H,3,9H2,1-2H3
InChIKeyXPKXNKNNFOWLSQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.17
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 104515541) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID104515541
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1nccnc1OC
InChIInChI=1S/C15H17ClFN3O/c1-3-18-13(14-15(21-2)20-8-7-19-14)9-10-11(16)5-4-6-12(10)17/h4-8,13,18H,3,9H2,1-2H3
InChIKeyXPKXNKNNFOWLSQ-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105105535
2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178614
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 114552816
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (CID 104515541) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is CCNC(Cc1c(F)cccc1Cl)c1nccnc1OC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is XPKXNKNNFOWLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-18-13(14-15(21-2)20-8-7-19-14)9-10-11(16)5-4-6-12(10)17/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 104515541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).