1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

C15H15BrClNOS — CID 105178440

IUPAC1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1csc(Br)c1
InChIInChI=1S/C15H15BrClNOS/c1-18-13(11-7-14(16)20-8-11)6-10-5-12(17)4-9-2-3-19-15(9)10/h4-5,7-8,13,18H,2-3,6H2,1H3
InChIKeyBVEFXRKYUSFESC-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.60
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (PubChem CID 105178440) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
PubChem CID105178440
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1csc(Br)c1
InChIInChI=1S/C15H15BrClNOS/c1-18-13(11-7-14(16)20-8-11)6-10-5-12(17)4-9-2-3-19-15(9)10/h4-5,7-8,13,18H,2-3,6H2,1H3
InChIKeyBVEFXRKYUSFESC-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105031429
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105031463
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105178376
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105178517
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968958
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 104545460
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (CID 105178440) is 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is CNC(Cc1cc(Cl)cc2c1OCC2)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The InChIKey is BVEFXRKYUSFESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-18-13(11-7-14(16)20-8-11)6-10-5-12(17)4-9-2-3-19-15(9)10/h4-5,7-8,13,18H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine has a molecular weight of 372.72 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is sourced from PubChem (CID 105178440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).