N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine

C11H13NS — CID 117204998

IUPACN-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine
SMILESCNCc1ccc2c(C)csc2c1
InChIInChI=1S/C11H13NS/c1-8-7-13-11-5-9(6-12-2)3-4-10(8)11/h3-5,7,12H,6H2,1-2H3
InChIKeyGZMSQYILGQJGEC-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.93
Rot. Bonds2

About N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine

N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine (PubChem CID 117204998) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine
PubChem CID117204998
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine
SMILESCNCc1ccc2c(C)csc2c1
InChIInChI=1S/C11H13NS/c1-8-7-13-11-5-9(6-12-2)3-4-10(8)11/h3-5,7,12H,6H2,1-2H3
InChIKeyGZMSQYILGQJGEC-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine (CID 117204998) is N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine is CNCc1ccc2c(C)csc2c1.
What is the InChIKey of N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine?
The InChIKey is GZMSQYILGQJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-7-13-11-5-9(6-12-2)3-4-10(8)11/h3-5,7,12H,6H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine?
N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-benzothiophen-6-yl)methanamine is sourced from PubChem (CID 117204998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).