2-(2-methylthiophen-3-yl)ethanamine;hydrochloride

C7H12ClNS — CID 19826894

IUPAC2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
SMILESCc1sccc1CCN.Cl
InChIInChI=1S/C7H11NS.ClH/c1-6-7(2-4-8)3-5-9-6;/h3,5H,2,4,8H2,1H3;1H
InChIKeyWSRMGTBXUVHUDS-UHFFFAOYSA-N
MW177.70 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride

2-(2-methylthiophen-3-yl)ethanamine;hydrochloride (PubChem CID 19826894) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
PubChem CID19826894
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC Name2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
SMILESCc1sccc1CCN.Cl
InChIInChI=1S/C7H11NS.ClH/c1-6-7(2-4-8)3-5-9-6;/h3,5H,2,4,8H2,1H3;1H
InChIKeyWSRMGTBXUVHUDS-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylthiophen-3-yl)pentan-1-amine
CID 129015928
2-(2-methylthiophen-3-yl)ethanol
CID 13144701
2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride
CID 57428860
3-(4-fluorobutyl)-2-methylthiophene
CID 90141918
3-(3-bromopropyl)-2-methylthiophene
CID 102837926
3-(2-methylthiophen-3-yl)propanenitrile
CID 18446531
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine
CID 102837741
2-(7-methyl-1-benzothiophen-6-yl)ethanamine
CID 96590495
2-(4-methyl-1-benzothiophen-5-yl)ethanamine
CID 96590077
2-(2-methylthiophen-3-yl)acetic acid
CID 768693
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837734

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride (CID 19826894) is 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride is Cc1sccc1CCN.Cl.
What is the InChIKey of 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride?
The InChIKey is WSRMGTBXUVHUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-6-7(2-4-8)3-5-9-6;/h3,5H,2,4,8H2,1H3;1H.
What are the key properties of 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride?
2-(2-methylthiophen-3-yl)ethanamine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiophen-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 19826894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).