1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine

C16H15BrN2O — CID 104802037

IUPAC1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H15BrN2O/c1-18-14(7-11-6-13(17)10-19-9-11)16-8-12-4-2-3-5-15(12)20-16/h2-6,8-10,14,18H,7H2,1H3
InChIKeyIMQITRHITPPWPC-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.09
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine

1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine (PubChem CID 104802037) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
PubChem CID104802037
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H15BrN2O/c1-18-14(7-11-6-13(17)10-19-9-11)16-8-12-4-2-3-5-15(12)20-16/h2-6,8-10,14,18H,7H2,1H3
InChIKeyIMQITRHITPPWPC-UHFFFAOYSA-N
XLogP4.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 63091675
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876336
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
CID 103128134

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine (CID 104802037) is 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The InChIKey is IMQITRHITPPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-18-14(7-11-6-13(17)10-19-9-11)16-8-12-4-2-3-5-15(12)20-16/h2-6,8-10,14,18H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine has a molecular weight of 331.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 104802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).