2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine

C14H13BrClNOS — CID 105031711

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cc2c1OCC2)c1sccc1Cl
InChIInChI=1S/C14H13BrClNOS/c15-10-5-8-1-3-18-13(8)9(6-10)7-12(17)14-11(16)2-4-19-14/h2,4-6,12H,1,3,7,17H2
InChIKeyYHCSJZXCVKHWDF-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.34
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine (PubChem CID 105031711) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
PubChem CID105031711
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cc2c1OCC2)c1sccc1Cl
InChIInChI=1S/C14H13BrClNOS/c15-10-5-8-1-3-18-13(8)9(6-10)7-12(17)14-11(16)2-4-19-14/h2,4-6,12H,1,3,7,17H2
InChIKeyYHCSJZXCVKHWDF-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.34
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-(5-bromothiophen-3-yl)ethanamine
CID 105178517
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
CID 104541518
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877893
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine (CID 105031711) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine is NC(Cc1cc(Br)cc2c1OCC2)c1sccc1Cl.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine?
The InChIKey is YHCSJZXCVKHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c15-10-5-8-1-3-18-13(8)9(6-10)7-12(17)14-11(16)2-4-19-14/h2,4-6,12H,1,3,7,17H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine has a molecular weight of 358.69 g/mol, XLogP of 4.34, 3 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)-1-(3-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 105031711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).