3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine

C11H17NS — CID 118238606

IUPAC3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCc1c(N)sc2c1C(C)(C)CCC2
InChIInChI=1S/C11H17NS/c1-7-9-8(13-10(7)12)5-4-6-11(9,2)3/h4-6,12H2,1-3H3
InChIKeyGDHAENUVLUQKJC-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.25
Rot. Bonds

About 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine

3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (PubChem CID 118238606) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
PubChem CID118238606
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCc1c(N)sc2c1C(C)(C)CCC2
InChIInChI=1S/C11H17NS/c1-7-9-8(13-10(7)12)5-4-6-11(9,2)3/h4-6,12H2,1-3H3
InChIKeyGDHAENUVLUQKJC-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine 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 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The IUPAC name of 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (CID 118238606) is 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.
What is the SMILES notation for 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The canonical SMILES for 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is Cc1c(N)sc2c1C(C)(C)CCC2.
What is the InChIKey of 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The InChIKey is GDHAENUVLUQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7-9-8(13-10(7)12)5-4-6-11(9,2)3/h4-6,12H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is sourced from PubChem (CID 118238606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).