2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine

C15H16BrNO2S — CID 105134447

IUPAC2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1cccc2c1OCCO2
InChIInChI=1S/C15H16BrNO2S/c1-17-12(9-10-5-6-14(16)20-10)11-3-2-4-13-15(11)19-8-7-18-13/h2-6,12,17H,7-9H2,1H3
InChIKeyRIMCSDFMRVYYJB-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.79
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine

2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine (PubChem CID 105134447) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
PubChem CID105134447
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1cccc2c1OCCO2
InChIInChI=1S/C15H16BrNO2S/c1-17-12(9-10-5-6-14(16)20-10)11-3-2-4-13-15(11)19-8-7-18-13/h2-6,12,17H,7-9H2,1H3
InChIKeyRIMCSDFMRVYYJB-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 62503751
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984068
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine (CID 105134447) is 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)c1cccc2c1OCCO2.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The InChIKey is RIMCSDFMRVYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-17-12(9-10-5-6-14(16)20-10)11-3-2-4-13-15(11)19-8-7-18-13/h2-6,12,17H,7-9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine has a molecular weight of 354.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine is sourced from PubChem (CID 105134447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).