2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

C15H20BrNO3 — CID 105031757

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cc2c1OCC2)C1COCCO1
InChIInChI=1S/C15H20BrNO3/c1-17-13(14-9-18-4-5-19-14)8-11-7-12(16)6-10-2-3-20-15(10)11/h6-7,13-14,17H,2-5,8-9H2,1H3
InChIKeyXWYZSWYLASYKGT-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.93
Rot. Bonds4

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (PubChem CID 105031757) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
PubChem CID105031757
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cc2c1OCC2)C1COCCO1
InChIInChI=1S/C15H20BrNO3/c1-17-13(14-9-18-4-5-19-14)8-11-7-12(16)6-10-2-3-20-15(10)11/h6-7,13-14,17H,2-5,8-9H2,1H3
InChIKeyXWYZSWYLASYKGT-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine with MolForge

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Related Compounds

[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105332489
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
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)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 104702750
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)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878133
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (CID 105031757) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is CNC(Cc1cc(Br)cc2c1OCC2)C1COCCO1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The InChIKey is XWYZSWYLASYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-17-13(14-9-18-4-5-19-14)8-11-7-12(16)6-10-2-3-20-15(10)11/h6-7,13-14,17H,2-5,8-9H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine has a molecular weight of 342.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 105031757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).