2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

C12H14BrNS2 — CID 115849148

IUPAC2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2sccc2Br)sc1C
InChIInChI=1S/C12H14BrNS2/c1-7-5-12(16-8(7)2)10(14)6-11-9(13)3-4-15-11/h3-5,10H,6,14H2,1-2H3
InChIKeyYMQGOLZQBHERTD-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 115849148) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
PubChem CID115849148
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2sccc2Br)sc1C
InChIInChI=1S/C12H14BrNS2/c1-7-5-12(16-8(7)2)10(14)6-11-9(13)3-4-15-11/h3-5,10H,6,14H2,1-2H3
InChIKeyYMQGOLZQBHERTD-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
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)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (CID 115849148) is 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is Cc1cc(C(N)Cc2sccc2Br)sc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is YMQGOLZQBHERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-7-5-12(16-8(7)2)10(14)6-11-9(13)3-4-15-11/h3-5,10H,6,14H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 316.29 g/mol, XLogP of 4.43, 3 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)-1-(4,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115849148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).