2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C16H19BrN2O — CID 105036707

IUPAC2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1cc(C)ccc1OC
InChIInChI=1S/C16H19BrN2O/c1-11-4-5-16(20-3)14(6-11)15(18-2)8-12-7-13(17)10-19-9-12/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyIPIOADFYFWRBFE-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.66
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 105036707) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID105036707
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1cc(C)ccc1OC
InChIInChI=1S/C16H19BrN2O/c1-11-4-5-16(20-3)14(6-11)15(18-2)8-12-7-13(17)10-19-9-12/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyIPIOADFYFWRBFE-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
[2-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105202744
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 105036707) is 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1cc(C)ccc1OC.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is IPIOADFYFWRBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-4-5-16(20-3)14(6-11)15(18-2)8-12-7-13(17)10-19-9-12/h4-7,9-10,15,18H,8H2,1-3H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105036707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).