2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C15H18BrNS2 — CID 115849173

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H18BrNS2/c1-17-12(9-14-11(16)6-7-18-14)15-8-10-4-2-3-5-13(10)19-15/h6-8,12,17H,2-5,9H2,1H3
InChIKeyAGJYRTBZRCEYCE-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.95
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 115849173) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID115849173
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H18BrNS2/c1-17-12(9-14-11(16)6-7-18-14)15-8-10-4-2-3-5-13(10)19-15/h6-8,12,17H,2-5,9H2,1H3
InChIKeyAGJYRTBZRCEYCE-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylethanamine
CID 115848748
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 115843819
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
2-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105030057
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030632
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030264
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 115849173) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is CNC(Cc1sccc1Br)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is AGJYRTBZRCEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-17-12(9-14-11(16)6-7-18-14)15-8-10-4-2-3-5-13(10)19-15/h6-8,12,17H,2-5,9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 356.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 115849173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).