N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

C12H14BrNS2 — CID 78989434

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Br)s1
InChIInChI=1S/C12H14BrNS2/c1-14(7-6-10-3-2-8-15-10)9-11-4-5-12(13)16-11/h2-5,8H,6-7,9H2,1H3
InChIKeyNDOLEYBDZDXJAG-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.25
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 78989434) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID78989434
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Br)s1
InChIInChI=1S/C12H14BrNS2/c1-14(7-6-10-3-2-8-15-10)9-11-4-5-12(13)16-11/h2-5,8H,6-7,9H2,1H3
InChIKeyNDOLEYBDZDXJAG-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 78989434) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is NDOLEYBDZDXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-14(7-6-10-3-2-8-15-10)9-11-4-5-12(13)16-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 316.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 78989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).