1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride

C9H16ClNS — CID 71757020

IUPAC1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride
SMILESCCc1sc(C(C)N)cc1C.Cl
InChIInChI=1S/C9H15NS.ClH/c1-4-8-6(2)5-9(11-8)7(3)10;/h5,7H,4,10H2,1-3H3;1H
InChIKeyXHUDUGKJTQEMLQ-UHFFFAOYSA-N
MW205.75 g/mol
LogP3.06
Rot. Bonds2

About 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride

1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride (PubChem CID 71757020) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride
PubChem CID71757020
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride
SMILESCCc1sc(C(C)N)cc1C.Cl
InChIInChI=1S/C9H15NS.ClH/c1-4-8-6(2)5-9(11-8)7(3)10;/h5,7H,4,10H2,1-3H3;1H
InChIKeyXHUDUGKJTQEMLQ-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride (CID 71757020) is 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride is CCc1sc(C(C)N)cc1C.Cl.
What is the InChIKey of 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is XHUDUGKJTQEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.ClH/c1-4-8-6(2)5-9(11-8)7(3)10;/h5,7H,4,10H2,1-3H3;1H.
What are the key properties of 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride?
1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 205.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).