6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C15H17NS — CID 91099006

IUPAC6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1cc2c(s1)CC(Cc1ccccc1)CC2
InChIInChI=1S/C15H17NS/c16-15-10-13-7-6-12(9-14(13)17-15)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2
InChIKeyBDYFGGXCZIWOHH-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.68
Rot. Bonds2

About 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 91099006) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID91099006
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1cc2c(s1)CC(Cc1ccccc1)CC2
InChIInChI=1S/C15H17NS/c16-15-10-13-7-6-12(9-14(13)17-15)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2
InChIKeyBDYFGGXCZIWOHH-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 91099006) is 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Nc1cc2c(s1)CC(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is BDYFGGXCZIWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c16-15-10-13-7-6-12(9-14(13)17-15)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2.
What are the key properties of 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 243.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 91099006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).