N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine

C10H15NS — CID 149498181

IUPACN-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine
SMILESCNCC1CCCc2cscc21
InChIInChI=1S/C10H15NS/c1-11-5-8-3-2-4-9-6-12-7-10(8)9/h6-8,11H,2-5H2,1H3
InChIKeyZGLSDJIJBOUPSM-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.39
Rot. Bonds2

About N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine

N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine (PubChem CID 149498181) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine
PubChem CID149498181
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine
SMILESCNCC1CCCc2cscc21
InChIInChI=1S/C10H15NS/c1-11-5-8-3-2-4-9-6-12-7-10(8)9/h6-8,11H,2-5H2,1H3
InChIKeyZGLSDJIJBOUPSM-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(4,5,6,7-tetrahydro-2-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

N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine
CID 147656872
N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
CID 124547857
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)methanamine
CID 53239627
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine
CID 83906347
1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 83908304
(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 126657141
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 105458034
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81028858
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
ethane;4,5,6,7-tetrahydro-2-benzothiophene
CID 142139297

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine (CID 149498181) is N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine is CNCC1CCCc2cscc21.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine?
The InChIKey is ZGLSDJIJBOUPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-11-5-8-3-2-4-9-6-12-7-10(8)9/h6-8,11H,2-5H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-2-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 149498181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).