2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine

C11H12BrNS2 — CID 115847883

IUPAC2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C11H12BrNS2/c1-7-2-3-14-11(7)10(13)5-9-4-8(12)6-15-9/h2-4,6,10H,5,13H2,1H3
InChIKeyUUDUKTHTCTUSET-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115847883) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115847883
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C11H12BrNS2/c1-7-2-3-14-11(7)10(13)5-9-4-8(12)6-15-9/h2-4,6,10H,5,13H2,1H3
InChIKeyUUDUKTHTCTUSET-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115842607
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
2-(2-bromo-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115843760
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105139215
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (CID 115847883) is 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(N)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is UUDUKTHTCTUSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-7-2-3-14-11(7)10(13)5-9-4-8(12)6-15-9/h2-4,6,10H,5,13H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 302.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115847883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).