5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

C22H33N3O2 — CID 22249028

IUPAC5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1ccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c(OC)c1
InChIInChI=1S/C22H33N3O2/c1-7-15(8-2)23-22-19(10-4)24-21(18(9-3)25-22)17-13-12-16(27-11-5)14-20(17)26-6/h12-15H,7-11H2,1-6H3,(H,23,25)
InChIKeyFNDIJLAXENFKMP-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.28
Rot. Bonds10

About 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine

5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249028) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249028
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCOc1ccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c(OC)c1
InChIInChI=1S/C22H33N3O2/c1-7-15(8-2)23-22-19(10-4)24-21(18(9-3)25-22)17-13-12-16(27-11-5)14-20(17)26-6/h12-15H,7-11H2,1-6H3,(H,23,25)
InChIKeyFNDIJLAXENFKMP-UHFFFAOYSA-N
XLogP5.28
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpropyl)-(3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl)amine
CID 9822241
6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-phenyl]-pyridin-2-ylamine
CID 9818336
3,6-diethyl-5-(2-methoxy-4-methylphenyl)-N-pentan-3-ylpyrazin-2-amine
CID 9945957
3,6-diethyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10200724
3,6-diethyl-5-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10223332
3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10295219
3,6-diethyl-5-(2,4-dimethoxyphenyl)-[N-(1-ethylpropyl)]pyrazine-2-amine
CID 18449319
5-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
CID 22249041
3,6-diethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 53310132
N-(2,4-dimethoxybenzyl)-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 5194443
3,6-diethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-pentan-3-ylpyrazin-2-amine
CID 53310133
5-Methoxy-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 931311

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (CID 22249028) is 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is CCOc1ccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c(OC)c1.
What is the InChIKey of 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is FNDIJLAXENFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-7-15(8-2)23-22-19(10-4)24-21(18(9-3)25-22)17-13-12-16(27-11-5)14-20(17)26-6/h12-15H,7-11H2,1-6H3,(H,23,25).
What are the key properties of 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 371.53 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).