1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride

C8H14ClNS — CID 71757900

IUPAC1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride
SMILESCc1cc(C(C)N)c(C)s1.Cl
InChIInChI=1S/C8H13NS.ClH/c1-5-4-8(6(2)9)7(3)10-5;/h4,6H,9H2,1-3H3;1H
InChIKeyIAVRVOSZJASYLD-UHFFFAOYSA-N
MW191.73 g/mol
LogP2.81
Rot. Bonds1

About 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride

1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride (PubChem CID 71757900) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride
PubChem CID71757900
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride
SMILESCc1cc(C(C)N)c(C)s1.Cl
InChIInChI=1S/C8H13NS.ClH/c1-5-4-8(6(2)9)7(3)10-5;/h4,6H,9H2,1-3H3;1H
InChIKeyIAVRVOSZJASYLD-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride (CID 71757900) is 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride is Cc1cc(C(C)N)c(C)s1.Cl.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride?
The InChIKey is IAVRVOSZJASYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.ClH/c1-5-4-8(6(2)9)7(3)10-5;/h4,6H,9H2,1-3H3;1H.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride?
1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride has a molecular weight of 191.73 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).