N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

C16H21N3O — CID 102612221

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCOc1ccc(CCNC(C)c2nccnc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12(16-13(2)18-10-11-19-16)17-9-8-14-4-6-15(20-3)7-5-14/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVGBMUTVWMWUKDE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612221) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612221
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCOc1ccc(CCNC(C)c2nccnc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12(16-13(2)18-10-11-19-16)17-9-8-14-4-6-15(20-3)7-5-14/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVGBMUTVWMWUKDE-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612607
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
CID 174189613
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 65444462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612221) is N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is COc1ccc(CCNC(C)c2nccnc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is VGBMUTVWMWUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(16-13(2)18-10-11-19-16)17-9-8-14-4-6-15(20-3)7-5-14/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).