1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine

C14H18BrNOS — CID 107167357

IUPAC1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cc(Br)cs2)c(C)o1
InChIInChI=1S/C14H18BrNOS/c1-8-5-13(11(4)17-8)9(2)16-10(3)14-6-12(15)7-18-14/h5-7,9-10,16H,1-4H3
InChIKeyMMFYIWUUHTXBAI-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.13
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine (PubChem CID 107167357) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
PubChem CID107167357
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2cc(Br)cs2)c(C)o1
InChIInChI=1S/C14H18BrNOS/c1-8-5-13(11(4)17-8)9(2)16-10(3)14-6-12(15)7-18-14/h5-7,9-10,16H,1-4H3
InChIKeyMMFYIWUUHTXBAI-UHFFFAOYSA-N
XLogP5.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine with MolForge

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 114182346
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine (CID 107167357) is 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine is Cc1cc(C(C)NC(C)c2cc(Br)cs2)c(C)o1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
The InChIKey is MMFYIWUUHTXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-8-5-13(11(4)17-8)9(2)16-10(3)14-6-12(15)7-18-14/h5-7,9-10,16H,1-4H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine has a molecular weight of 328.28 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine is sourced from PubChem (CID 107167357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).