2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine

C12H14BrNS2 — CID 115847964

IUPAC2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H14BrNS2/c1-2-9-3-4-12(16-9)11(14)6-10-5-8(13)7-15-10/h3-5,7,11H,2,6,14H2,1H3
InChIKeyDNNCJUOENGDHCP-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.38
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115847964) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115847964
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H14BrNS2/c1-2-9-3-4-12(16-9)11(14)6-10-5-8(13)7-15-10/h3-5,7,11H,2,6,14H2,1H3
InChIKeyDNNCJUOENGDHCP-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105016050
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine (CID 115847964) is 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(N)Cc2cc(Br)cs2)s1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is DNNCJUOENGDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-2-9-3-4-12(16-9)11(14)6-10-5-8(13)7-15-10/h3-5,7,11H,2,6,14H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 316.29 g/mol, XLogP of 4.38, 4 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-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115847964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).