1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C13H13Cl2N3O — CID 105032038

IUPAC1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-16-11(10-8(14)4-3-5-9(10)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3
InChIKeyWBNLXBXKEVJNQS-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105032038) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105032038
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-16-11(10-8(14)4-3-5-9(10)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3
InChIKeyWBNLXBXKEVJNQS-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515629
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516094
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105178666
1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032260
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 114022188
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
1-(3-methoxypyrazin-2-yl)-N-methyl-1-quinolin-2-ylmethanamine
CID 104515575

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 105032038) is 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1nccnc1OC)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is WBNLXBXKEVJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-16-11(10-8(14)4-3-5-9(10)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 298.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105032038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).