2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride

C12H16ClNS — CID 21469698

IUPAC2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
SMILESCCc1ccc2scc(CCN)c2c1.Cl
InChIInChI=1S/C12H15NS.ClH/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12;/h3-4,7-8H,2,5-6,13H2,1H3;1H
InChIKeyIVUSHFROVSESDX-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.39
Rot. Bonds3

About 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride

2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride (PubChem CID 21469698) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
PubChem CID21469698
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
SMILESCCc1ccc2scc(CCN)c2c1.Cl
InChIInChI=1S/C12H15NS.ClH/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12;/h3-4,7-8H,2,5-6,13H2,1H3;1H
InChIKeyIVUSHFROVSESDX-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-ethyl-1-benzothiophen-3-yl)acetonitrile
CID 15816641
ethyl 2-(5-ethyl-1-benzothiophen-3-yl)acetate
CID 15816638
2-[5-[(1-methyltetrazol-5-yl)methyl]-1-benzothiophen-3-yl]ethanamine
CID 76851741
[3-(2-aminoethyl)-1-benzothiophen-5-yl]-methylborinic acid
CID 123988662
2-(2,5-diethylphenyl)ethanamine
CID 117277667
[3-(2-aminoethyl)-1-benzothiophen-5-yl]boronic acid
CID 90365008
(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
CID 154814321
3-butyl-5-chloro-1-benzothiophene
CID 67585304
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
3-ethyl-5-iodo-1-benzothiophene
CID 20678685
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 81048729

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride (CID 21469698) is 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride is CCc1ccc2scc(CCN)c2c1.Cl.
What is the InChIKey of 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride?
The InChIKey is IVUSHFROVSESDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS.ClH/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12;/h3-4,7-8H,2,5-6,13H2,1H3;1H.
What are the key properties of 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride?
2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride has a molecular weight of 241.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 21469698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).