4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol

C12H19NOS — CID 83911187

IUPAC4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol
SMILESCCc1cc2c(s1)CCCC2(O)CCN
InChIInChI=1S/C12H19NOS/c1-2-9-8-10-11(15-9)4-3-5-12(10,14)6-7-13/h8,14H,2-7,13H2,1H3
InChIKeyHGSDKPVVEZIMKH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.18
Rot. Bonds3

About 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol

4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol (PubChem CID 83911187) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol
PubChem CID83911187
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol
SMILESCCc1cc2c(s1)CCCC2(O)CCN
InChIInChI=1S/C12H19NOS/c1-2-9-8-10-11(15-9)4-3-5-12(10,14)6-7-13/h8,14H,2-7,13H2,1H3
InChIKeyHGSDKPVVEZIMKH-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The IUPAC name of 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol (CID 83911187) is 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol is CCc1cc2c(s1)CCCC2(O)CCN.
What is the InChIKey of 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
The InChIKey is HGSDKPVVEZIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-9-8-10-11(15-9)4-3-5-12(10,14)6-7-13/h8,14H,2-7,13H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol?
4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol has a molecular weight of 225.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-ethyl-6,7-dihydro-5H-1-benzothiophen-4-ol is sourced from PubChem (CID 83911187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).