1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine

C15H18BrN3O — CID 107982928

IUPAC1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ncn1)c1cccc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-10-5-4-6-12(15(10)16)13(17-2)7-11-8-14(20-3)19-9-18-11/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeyXDSMFZCTUSRDCS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine

1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine (PubChem CID 107982928) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
PubChem CID107982928
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ncn1)c1cccc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-10-5-4-6-12(15(10)16)13(17-2)7-11-8-14(20-3)19-9-18-11/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeyXDSMFZCTUSRDCS-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 107982906
4-[2-(3-bromo-2-fluorophenyl)-2-chloroethyl]-6-methoxypyrimidine
CID 114020756
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 104853290
4-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-6-methoxypyrimidine
CID 113397616
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 66320832
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448627

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine (CID 107982928) is 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine is CNC(Cc1cc(OC)ncn1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The InChIKey is XDSMFZCTUSRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-5-4-6-12(15(10)16)13(17-2)7-11-8-14(20-3)19-9-18-11/h4-6,8-9,13,17H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 107982928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).