N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine

C11H13NS — CID 22593745

IUPACN-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine
SMILESCNCc1sc2ccccc2c1C
InChIInChI=1S/C11H13NS/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-6,12H,7H2,1-2H3
InChIKeyRXWFPQLKFZEOIW-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.93
Rot. Bonds2

About N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine

N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine (PubChem CID 22593745) 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-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine
PubChem CID22593745
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine
SMILESCNCc1sc2ccccc2c1C
InChIInChI=1S/C11H13NS/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-6,12H,7H2,1-2H3
InChIKeyRXWFPQLKFZEOIW-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-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine (CID 22593745) is N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine is CNCc1sc2ccccc2c1C.
What is the InChIKey of N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is RXWFPQLKFZEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-6,12H,7H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1-benzothiophen-2-yl)methanamine?
N-methyl-1-(3-methyl-1-benzothiophen-2-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-2-yl)methanamine is sourced from PubChem (CID 22593745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).