3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline

C17H18N2S — CID 46228260

IUPAC3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2sc3ccccc3c2CN)c1
InChIInChI=1S/C17H18N2S/c1-19(2)13-7-5-6-12(10-13)17-15(11-18)14-8-3-4-9-16(14)20-17/h3-10H,11,18H2,1-2H3
InChIKeyKIWFOQKUXJCIMC-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.09
Rot. Bonds3

About 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline

3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline (PubChem CID 46228260) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
PubChem CID46228260
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2sc3ccccc3c2CN)c1
InChIInChI=1S/C17H18N2S/c1-19(2)13-7-5-6-12(10-13)17-15(11-18)14-8-3-4-9-16(14)20-17/h3-10H,11,18H2,1-2H3
InChIKeyKIWFOQKUXJCIMC-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
2-ethyl-N-[[5-[(2-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155525206
4-methyl-N-[[5-[(4-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155540663
2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155558860
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
CID 2824353
3-ethyl-N-[[5-[(3-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155514419
3-methyl-N-[[5-[(3-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155521522
3-methyl-N-[[4-[(3-methylanilino)methyl]thiophen-3-yl]methyl]aniline
CID 155522310
4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155564197
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline (CID 46228260) is 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline is CN(C)c1cccc(-c2sc3ccccc3c2CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The InChIKey is KIWFOQKUXJCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-19(2)13-7-5-6-12(10-13)17-15(11-18)14-8-3-4-9-16(14)20-17/h3-10H,11,18H2,1-2H3.
What are the key properties of 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 282.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 46228260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).