N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine

C11H15NS — CID 117203072

IUPACN-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine
SMILESCNCc1cccc2c1C(C)CS2
InChIInChI=1S/C11H15NS/c1-8-7-13-10-5-3-4-9(6-12-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyZVTACGOLTNWSQK-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.62
Rot. Bonds2

About N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine

N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine (PubChem CID 117203072) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine
PubChem CID117203072
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine
SMILESCNCc1cccc2c1C(C)CS2
InChIInChI=1S/C11H15NS/c1-8-7-13-10-5-3-4-9(6-12-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyZVTACGOLTNWSQK-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
CID 117203047
3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633
1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
CID 117203035
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
CID 117204112
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
N-methyl-3-(3-methyl-2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine
CID 117203804
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine
CID 117202905
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816
5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84620981

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine (CID 117203072) is N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine is CNCc1cccc2c1C(C)CS2.
What is the InChIKey of N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is ZVTACGOLTNWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-7-13-10-5-3-4-9(6-12-2)11(8)10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine?
N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 193.31 g/mol, XLogP of 2.62, 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-2,3-dihydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 117203072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).