1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C14H16BrN3O2 — CID 105178788

IUPAC1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)ccc1Br)c1nccnc1OC
InChIInChI=1S/C14H16BrN3O2/c1-16-12(13-14(20-3)18-7-6-17-13)10-8-9(19-2)4-5-11(10)15/h4-8,12,16H,1-3H3
InChIKeyQDOAMAQQZXWUKG-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105178788) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105178788
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(OC)ccc1Br)c1nccnc1OC
InChIInChI=1S/C14H16BrN3O2/c1-16-12(13-14(20-3)18-7-6-17-13)10-8-9(19-2)4-5-11(10)15/h4-8,12,16H,1-3H3
InChIKeyQDOAMAQQZXWUKG-UHFFFAOYSA-N
XLogP2.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031778
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105031379
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
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-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 114022188
1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121873

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 105178788) is 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cc(OC)ccc1Br)c1nccnc1OC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is QDOAMAQQZXWUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16-12(13-14(20-3)18-7-6-17-13)10-8-9(19-2)4-5-11(10)15/h4-8,12,16H,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 338.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105178788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).