N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C14H15F2N3O — CID 104515889

IUPACN-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1nccnc1OC)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-3-17-12(11-9(15)5-4-6-10(11)16)13-14(20-2)19-8-7-18-13/h4-8,12,17H,3H2,1-2H3
InChIKeyIWMBXMCFPGWNBK-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 104515889) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID104515889
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1nccnc1OC)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-3-17-12(11-9(15)5-4-6-10(11)16)13-14(20-2)19-8-7-18-13/h4-8,12,17H,3H2,1-2H3
InChIKeyIWMBXMCFPGWNBK-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515541
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516092
N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516007
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
N-[(4,5-dibromothiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105032234
N-[(2-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146502
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
CID 105032262

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 104515889) is N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1nccnc1OC)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is IWMBXMCFPGWNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-17-12(11-9(15)5-4-6-10(11)16)13-14(20-2)19-8-7-18-13/h4-8,12,17H,3H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 104515889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).