N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine

C17H20N2S2 — CID 79490617

IUPACN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C17H20N2S2/c1-19(9-8-13-5-4-10-20-13)12-15-14-6-2-3-7-16(14)21-17(15)11-18/h2-7,10H,8-9,11-12,18H2,1H3
InChIKeyDEUMAOYBIAPHKZ-UHFFFAOYSA-N
MW316.50 g/mol
LogP4.10
Rot. Bonds6

About N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 79490617) has the molecular formula C17H20N2S2 and a molecular weight of 316.50 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID79490617
Molecular FormulaC17H20N2S2
Molecular Weight316.50 g/mol
Exact Mass316.11
IUPAC NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C17H20N2S2/c1-19(9-8-13-5-4-10-20-13)12-15-14-6-2-3-7-16(14)21-17(15)11-18/h2-7,10H,8-9,11-12,18H2,1H3
InChIKeyDEUMAOYBIAPHKZ-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
CID 62433366
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
CID 62424421
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
N,N,N'-trimethyl-N'-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethane-1,2-diamine
CID 63701253
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82753721
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987779
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 79490617) is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)Cc1c(CN)sc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is DEUMAOYBIAPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S2/c1-19(9-8-13-5-4-10-20-13)12-15-14-6-2-3-7-16(14)21-17(15)11-18/h2-7,10H,8-9,11-12,18H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 316.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).