2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine

C15H18ClN3O2 — CID 105031131

IUPAC2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ncc(OC)nc1OC
InChIInChI=1S/C15H18ClN3O2/c1-17-12(8-10-4-6-11(16)7-5-10)14-15(21-3)19-13(20-2)9-18-14/h4-7,9,12,17H,8H2,1-3H3
InChIKeyCEVONOGNPVEFIA-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine (PubChem CID 105031131) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
PubChem CID105031131
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ncc(OC)nc1OC
InChIInChI=1S/C15H18ClN3O2/c1-17-12(8-10-4-6-11(16)7-5-10)14-15(21-3)19-13(20-2)9-18-14/h4-7,9,12,17H,8H2,1-3H3
InChIKeyCEVONOGNPVEFIA-UHFFFAOYSA-N
XLogP2.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105085579
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 105030844
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
1-(3,5-dimethoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 105178270
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine (CID 105031131) is 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1ncc(OC)nc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine?
The InChIKey is CEVONOGNPVEFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-17-12(8-10-4-6-11(16)7-5-10)14-15(21-3)19-13(20-2)9-18-14/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine has a molecular weight of 307.78 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 105031131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).