N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine

C12H15NS — CID 117186428

IUPACN,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine
SMILESCc1cccc2cc(CN(C)C)sc12
InChIInChI=1S/C12H15NS/c1-9-5-4-6-10-7-11(8-13(2)3)14-12(9)10/h4-7H,8H2,1-3H3
InChIKeyHIVWQHGVJLSLKV-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.27
Rot. Bonds2

About N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine

N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine (PubChem CID 117186428) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine
PubChem CID117186428
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine
SMILESCc1cccc2cc(CN(C)C)sc12
InChIInChI=1S/C12H15NS/c1-9-5-4-6-10-7-11(8-13(2)3)14-12(9)10/h4-7H,8H2,1-3H3
InChIKeyHIVWQHGVJLSLKV-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine (CID 117186428) is N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine is Cc1cccc2cc(CN(C)C)sc12.
What is the InChIKey of N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is HIVWQHGVJLSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9-5-4-6-10-7-11(8-13(2)3)14-12(9)10/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine?
N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine has a molecular weight of 205.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 117186428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).