3-[(dimethylamino)methyl]-1-benzothiophen-6-amine

C11H14N2S — CID 117178026

IUPAC3-[(dimethylamino)methyl]-1-benzothiophen-6-amine
SMILESCN(C)Cc1csc2cc(N)ccc12
InChIInChI=1S/C11H14N2S/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyOKXUNGCBXTZAIP-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.55
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine

3-[(dimethylamino)methyl]-1-benzothiophen-6-amine (PubChem CID 117178026) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-benzothiophen-6-amine
PubChem CID117178026
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-[(dimethylamino)methyl]-1-benzothiophen-6-amine
SMILESCN(C)Cc1csc2cc(N)ccc12
InChIInChI=1S/C11H14N2S/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyOKXUNGCBXTZAIP-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-amino-1-benzothiophen-3-yl)methanethiol
CID 117178186
3-(methylaminomethyl)-1-benzothiophen-6-amine
CID 117178025
3-(ethylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178064
3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178065
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
3-[(dimethylamino)methyl]-1-benzofuran-5-amine
CID 84662693
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
CID 117178142
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
3-[(dimethylamino)methyl]thiochromen-4-one
CID 54078059
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine (CID 117178026) is 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine is CN(C)Cc1csc2cc(N)ccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine?
The InChIKey is OKXUNGCBXTZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13(2)6-8-7-14-11-5-9(12)3-4-10(8)11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine?
3-[(dimethylamino)methyl]-1-benzothiophen-6-amine has a molecular weight of 206.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-benzothiophen-6-amine is sourced from PubChem (CID 117178026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).