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

C11H11Br2NS2 — CID 61012571

IUPAC1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(Br)s1)c1sccc1Br
InChIInChI=1S/C11H11Br2NS2/c1-7(11-9(12)4-5-15-11)14-6-8-2-3-10(13)16-8/h2-5,7,14H,6H2,1H3
InChIKeyNWUZAWIKMOUXHU-UHFFFAOYSA-N
MW381.16 g/mol
LogP5.19
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 61012571) has the molecular formula C11H11Br2NS2 and a molecular weight of 381.16 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID61012571
Molecular FormulaC11H11Br2NS2
Molecular Weight381.16 g/mol
Exact Mass378.87
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(Br)s1)c1sccc1Br
InChIInChI=1S/C11H11Br2NS2/c1-7(11-9(12)4-5-15-11)14-6-8-2-3-10(13)16-8/h2-5,7,14H,6H2,1H3
InChIKeyNWUZAWIKMOUXHU-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

Analyze 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281995
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
(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-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829492
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895631
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (CID 61012571) is 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is CC(NCc1ccc(Br)s1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is NWUZAWIKMOUXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NS2/c1-7(11-9(12)4-5-15-11)14-6-8-2-3-10(13)16-8/h2-5,7,14H,6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine 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 1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61012571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).