1-(5-methylthiophen-2-yl)ethanamine

C7H11NS — CID 4279427

IUPAC1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)N)s1
InChIInChI=1S/C7H11NS/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKeyCODYMUAFGSPBNA-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.08
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)ethanamine

1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 4279427) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)ethanamine
PubChem CID4279427
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)N)s1
InChIInChI=1S/C7H11NS/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
InChIKeyCODYMUAFGSPBNA-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)ethanamine (CID 4279427) is 1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)N)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is CODYMUAFGSPBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)ethanamine?
1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 141.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 4279427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).