2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine

C17H18BrNO — CID 115787083

IUPAC2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc2c(c1)COC2
InChIInChI=1S/C17H18BrNO/c1-19-17(9-12-4-2-3-5-16(12)18)13-6-7-14-10-20-11-15(14)8-13/h2-8,17,19H,9-11H2,1H3
InChIKeyUOXWGORTDMCKPM-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine

2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine (PubChem CID 115787083) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
PubChem CID115787083
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc2c(c1)COC2
InChIInChI=1S/C17H18BrNO/c1-19-17(9-12-4-2-3-5-16(12)18)13-6-7-14-10-20-11-15(14)8-13/h2-8,17,19H,9-11H2,1H3
InChIKeyUOXWGORTDMCKPM-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843109
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine (CID 115787083) is 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The InChIKey is UOXWGORTDMCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19-17(9-12-4-2-3-5-16(12)18)13-6-7-14-10-20-11-15(14)8-13/h2-8,17,19H,9-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine has a molecular weight of 332.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 115787083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).