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

C12H19NS — CID 146385060

IUPAC4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCCC1(C)CCCc2sc(N)c(C)c21
InChIInChI=1S/C12H19NS/c1-4-12(3)7-5-6-9-10(12)8(2)11(13)14-9/h4-7,13H2,1-3H3
InChIKeyRPRGYESMXYCNIQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.64
Rot. Bonds1

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

4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (PubChem CID 146385060) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
PubChem CID146385060
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCCC1(C)CCCc2sc(N)c(C)c21
InChIInChI=1S/C12H19NS/c1-4-12(3)7-5-6-9-10(12)8(2)11(13)14-9/h4-7,13H2,1-3H3
InChIKeyRPRGYESMXYCNIQ-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The IUPAC name of 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (CID 146385060) is 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.
What is the SMILES notation for 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The canonical SMILES for 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is CCC1(C)CCCc2sc(N)c(C)c21.
What is the InChIKey of 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The InChIKey is RPRGYESMXYCNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-12(3)7-5-6-9-10(12)8(2)11(13)14-9/h4-7,13H2,1-3H3.
What are the key properties of 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is sourced from PubChem (CID 146385060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).