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

C15H18BrN3O2 — CID 105030961

IUPAC1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1ncc(OC)nc1OC
InChIInChI=1S/C15H18BrN3O2/c1-9-5-10(7-11(16)6-9)13(17-2)14-15(21-4)19-12(20-3)8-18-14/h5-8,13,17H,1-4H3
InChIKeyFBCQSTRJXWDLTB-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.87
Rot. Bonds5

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

1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105030961) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105030961
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1ncc(OC)nc1OC
InChIInChI=1S/C15H18BrN3O2/c1-9-5-10(7-11(16)6-9)13(17-2)14-15(21-4)19-12(20-3)8-18-14/h5-8,13,17H,1-4H3
InChIKeyFBCQSTRJXWDLTB-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755786
1-(2,4-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 107946646
1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105031379
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105031250
[(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332579
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
1-(3-bromo-5-methylphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 104851250
N-[(3-bromo-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025989
1-(3-chloro-5-methylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032260
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-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (CID 105030961) is 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Br)c1)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is FBCQSTRJXWDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-5-10(7-11(16)6-9)13(17-2)14-15(21-4)19-12(20-3)8-18-14/h5-8,13,17H,1-4H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 352.23 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105030961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).