6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine

C14H15NS — CID 114749286

IUPAC6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine
SMILESNc1csc2c1CCC(c1ccccc1)C2
InChIInChI=1S/C14H15NS/c15-13-9-16-14-8-11(6-7-12(13)14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,15H2
InChIKeyGZRYQXHUHHHGRM-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.60
Rot. Bonds1

About 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine

6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine (PubChem CID 114749286) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine
PubChem CID114749286
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine
SMILESNc1csc2c1CCC(c1ccccc1)C2
InChIInChI=1S/C14H15NS/c15-13-9-16-14-8-11(6-7-12(13)14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,15H2
InChIKeyGZRYQXHUHHHGRM-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine?
The IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine (CID 114749286) is 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine.
What is the SMILES notation for 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine?
The canonical SMILES for 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine is Nc1csc2c1CCC(c1ccccc1)C2.
What is the InChIKey of 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine?
The InChIKey is GZRYQXHUHHHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-13-9-16-14-8-11(6-7-12(13)14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,15H2.
What are the key properties of 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine?
6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine has a molecular weight of 229.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-3-amine is sourced from PubChem (CID 114749286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).