N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine

C11H11Br2NS2 — CID 102835571

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cc(Br)c(Br)s1)c1ccsc1
InChIInChI=1S/C11H11Br2NS2/c1-7(8-2-3-15-6-8)14-5-9-4-10(12)11(13)16-9/h2-4,6-7,14H,5H2,1H3
InChIKeyICDHGXLMMXLDIL-UHFFFAOYSA-N
MW381.16 g/mol
LogP5.19
Rot. Bonds4

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 102835571) has the molecular formula C11H11Br2NS2 and a molecular weight of 381.16 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID102835571
Molecular FormulaC11H11Br2NS2
Molecular Weight381.16 g/mol
Exact Mass378.87
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cc(Br)c(Br)s1)c1ccsc1
InChIInChI=1S/C11H11Br2NS2/c1-7(8-2-3-15-6-8)14-5-9-4-10(12)11(13)16-9/h2-4,6-7,14H,5H2,1H3
InChIKeyICDHGXLMMXLDIL-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.16
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102834326
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylethanamine
CID 62840115
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 102837273
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 102835571) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1cc(Br)c(Br)s1)c1ccsc1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is ICDHGXLMMXLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NS2/c1-7(8-2-3-15-6-8)14-5-9-4-10(12)11(13)16-9/h2-4,6-7,14H,5H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 381.16 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 102835571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).