1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

C14H15Br2N3O2 — CID 105031379

IUPAC1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1ncc(OC)nc1OC
InChIInChI=1S/C14H15Br2N3O2/c1-17-12(9-6-8(15)4-5-10(9)16)13-14(21-3)19-11(20-2)7-18-13/h4-7,12,17H,1-3H3
InChIKeyHPIUSNWCKPUOGF-UHFFFAOYSA-N
MW417.10 g/mol
LogP3.33
Rot. Bonds5

About 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105031379) has the molecular formula C14H15Br2N3O2 and a molecular weight of 417.10 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105031379
Molecular FormulaC14H15Br2N3O2
Molecular Weight417.10 g/mol
Exact Mass414.95
IUPAC Name1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1ncc(OC)nc1OC
InChIInChI=1S/C14H15Br2N3O2/c1-17-12(9-6-8(15)4-5-10(9)16)13-14(21-3)19-11(20-2)7-18-13/h4-7,12,17H,1-3H3
InChIKeyHPIUSNWCKPUOGF-UHFFFAOYSA-N
XLogP3.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 107946646
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105178788
1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105030961
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755786
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105031250
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 105178345
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105178221
[(4,5-dibromothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]hydrazine
CID 105332377
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105178281

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (CID 105031379) is 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cc(Br)ccc1Br)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is HPIUSNWCKPUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O2/c1-17-12(9-6-8(15)4-5-10(9)16)13-14(21-3)19-11(20-2)7-18-13/h4-7,12,17H,1-3H3.
What are the key properties of 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 417.10 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105031379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).