3-(methylaminomethyl)-1-benzothiophen-6-amine

C10H12N2S — CID 117178025

IUPAC3-(methylaminomethyl)-1-benzothiophen-6-amine
SMILESCNCc1csc2cc(N)ccc12
InChIInChI=1S/C10H12N2S/c1-12-5-7-6-13-10-4-8(11)2-3-9(7)10/h2-4,6,12H,5,11H2,1H3
InChIKeyOCBGLDLHPCMMQU-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.20
Rot. Bonds2

About 3-(methylaminomethyl)-1-benzothiophen-6-amine

3-(methylaminomethyl)-1-benzothiophen-6-amine (PubChem CID 117178025) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-(methylaminomethyl)-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-1-benzothiophen-6-amine
PubChem CID117178025
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-(methylaminomethyl)-1-benzothiophen-6-amine
SMILESCNCc1csc2cc(N)ccc12
InChIInChI=1S/C10H12N2S/c1-12-5-7-6-13-10-4-8(11)2-3-9(7)10/h2-4,6,12H,5,11H2,1H3
InChIKeyOCBGLDLHPCMMQU-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-[(dimethylamino)methyl]-1-benzothiophen-6-amine
CID 117178026
3-(ethylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178064
3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178065
3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-amine
CID 69116575
3-methyl-4-(methylaminomethyl)aniline
CID 45078678
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619
N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine
CID 117204998
3-(pyridin-3-yloxymethyl)-1-benzothiophen-6-amine
CID 117178142
N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-1-benzothiophen-6-amine?
The IUPAC name of 3-(methylaminomethyl)-1-benzothiophen-6-amine (CID 117178025) is 3-(methylaminomethyl)-1-benzothiophen-6-amine.
What is the SMILES notation for 3-(methylaminomethyl)-1-benzothiophen-6-amine?
The canonical SMILES for 3-(methylaminomethyl)-1-benzothiophen-6-amine is CNCc1csc2cc(N)ccc12.
What is the InChIKey of 3-(methylaminomethyl)-1-benzothiophen-6-amine?
The InChIKey is OCBGLDLHPCMMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12-5-7-6-13-10-4-8(11)2-3-9(7)10/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 3-(methylaminomethyl)-1-benzothiophen-6-amine?
3-(methylaminomethyl)-1-benzothiophen-6-amine has a molecular weight of 192.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-1-benzothiophen-6-amine is sourced from PubChem (CID 117178025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).