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

C12H19NS — CID 155195123

IUPAC3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCCc1c(N)sc2c1C(C)(C)CCC2
InChIInChI=1S/C12H19NS/c1-4-8-10-9(14-11(8)13)6-5-7-12(10,2)3/h4-7,13H2,1-3H3
InChIKeyJDIHYTJLWOMZKZ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.51
Rot. Bonds1

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

3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (PubChem CID 155195123) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
PubChem CID155195123
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCCc1c(N)sc2c1C(C)(C)CCC2
InChIInChI=1S/C12H19NS/c1-4-8-10-9(14-11(8)13)6-5-7-12(10,2)3/h4-7,13H2,1-3H3
InChIKeyJDIHYTJLWOMZKZ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The IUPAC name of 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine (CID 155195123) is 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine.
What is the SMILES notation for 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The canonical SMILES for 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is CCc1c(N)sc2c1C(C)(C)CCC2.
What is the InChIKey of 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The InChIKey is JDIHYTJLWOMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-8-10-9(14-11(8)13)6-5-7-12(10,2)3/h4-7,13H2,1-3H3.
What are the key properties of 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine?
3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-amine is sourced from PubChem (CID 155195123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).