N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine

C11H10BrCl2NS2 — CID 114082698

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
SMILESCC(NCc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10BrCl2NS2/c1-6(8-4-10(13)17-11(8)14)15-5-7-2-3-9(12)16-7/h2-4,6,15H,5H2,1H3
InChIKeyUMFHGYFZVDVIGD-UHFFFAOYSA-N
MW371.15 g/mol
LogP5.73
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine (PubChem CID 114082698) has the molecular formula C11H10BrCl2NS2 and a molecular weight of 371.15 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
PubChem CID114082698
Molecular FormulaC11H10BrCl2NS2
Molecular Weight371.15 g/mol
Exact Mass368.88
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
SMILESCC(NCc1ccc(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H10BrCl2NS2/c1-6(8-4-10(13)17-11(8)14)15-5-7-2-3-9(12)16-7/h2-4,6,15H,5H2,1H3
InChIKeyUMFHGYFZVDVIGD-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.15
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)ethanamine
CID 54900157
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103775330
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181273

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine (CID 114082698) is N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine is CC(NCc1ccc(Br)s1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine?
The InChIKey is UMFHGYFZVDVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NS2/c1-6(8-4-10(13)17-11(8)14)15-5-7-2-3-9(12)16-7/h2-4,6,15H,5H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine has a molecular weight of 371.15 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine is sourced from PubChem (CID 114082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).