2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine

C17H19BrN2O — CID 114878133

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(Br)cc2c1OCC2)c1cnccc1C
InChIInChI=1S/C17H19BrN2O/c1-11-3-5-20-10-15(11)16(19-2)9-13-8-14(18)7-12-4-6-21-17(12)13/h3,5,7-8,10,16,19H,4,6,9H2,1-2H3
InChIKeyFOMLQKPLYCPZJF-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.59
Rot. Bonds4

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114878133) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114878133
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(Br)cc2c1OCC2)c1cnccc1C
InChIInChI=1S/C17H19BrN2O/c1-11-3-5-20-10-15(11)16(19-2)9-13-8-14(18)7-12-4-6-21-17(12)13/h3,5,7-8,10,16,19H,4,6,9H2,1-2H3
InChIKeyFOMLQKPLYCPZJF-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877893
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219279
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 105031757
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105178541
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
CID 105031744
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine (CID 114878133) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine is CNC(Cc1cc(Br)cc2c1OCC2)c1cnccc1C.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is FOMLQKPLYCPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-3-5-20-10-15(11)16(19-2)9-13-8-14(18)7-12-4-6-21-17(12)13/h3,5,7-8,10,16,19H,4,6,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 347.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114878133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).