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

C8H13NS — CID 3614460

IUPAC1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)N)c(C)s1
InChIInChI=1S/C8H13NS/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKeyFCVVALGYYCPMEM-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.38
Rot. Bonds1

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

1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 3614460) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID3614460
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)N)c(C)s1
InChIInChI=1S/C8H13NS/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKeyFCVVALGYYCPMEM-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.38
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?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 3614460) is 1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)N)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is FCVVALGYYCPMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 155.27 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 3614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).