1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C13H16BrNS2 — CID 115857053

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1sccc1Br
InChIInChI=1S/C13H16BrNS2/c1-2-15-12(13-11(14)6-8-17-13)4-3-10-5-7-16-9-10/h5-9,12,15H,2-4H2,1H3
InChIKeyOQJVBNDWTRRIGP-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.86
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857053) has the molecular formula C13H16BrNS2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115857053
Molecular FormulaC13H16BrNS2
Molecular Weight330.32 g/mol
Exact Mass328.99
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1sccc1Br
InChIInChI=1S/C13H16BrNS2/c1-2-15-12(13-11(14)6-8-17-13)4-3-10-5-7-16-9-10/h5-9,12,15H,2-4H2,1H3
InChIKeyOQJVBNDWTRRIGP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 114894917
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 115857053) is 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is OQJVBNDWTRRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS2/c1-2-15-12(13-11(14)6-8-17-13)4-3-10-5-7-16-9-10/h5-9,12,15H,2-4H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 330.32 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).