2-(4-methylthiophen-3-yl)propan-2-amine

C8H13NS — CID 84763675

IUPAC2-(4-methylthiophen-3-yl)propan-2-amine
SMILESCc1cscc1C(C)(C)N
InChIInChI=1S/C8H13NS/c1-6-4-10-5-7(6)8(2,3)9/h4-5H,9H2,1-3H3
InChIKeyNXLIXVVGHNISQF-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.25
Rot. Bonds1

About 2-(4-methylthiophen-3-yl)propan-2-amine

2-(4-methylthiophen-3-yl)propan-2-amine (PubChem CID 84763675) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(4-methylthiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methylthiophen-3-yl)propan-2-amine
PubChem CID84763675
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(4-methylthiophen-3-yl)propan-2-amine
SMILESCc1cscc1C(C)(C)N
InChIInChI=1S/C8H13NS/c1-6-4-10-5-7(6)8(2,3)9/h4-5H,9H2,1-3H3
InChIKeyNXLIXVVGHNISQF-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-3-yl)propan-2-amine?
The IUPAC name of 2-(4-methylthiophen-3-yl)propan-2-amine (CID 84763675) is 2-(4-methylthiophen-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methylthiophen-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-methylthiophen-3-yl)propan-2-amine is Cc1cscc1C(C)(C)N.
What is the InChIKey of 2-(4-methylthiophen-3-yl)propan-2-amine?
The InChIKey is NXLIXVVGHNISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-4-10-5-7(6)8(2,3)9/h4-5H,9H2,1-3H3.
What are the key properties of 2-(4-methylthiophen-3-yl)propan-2-amine?
2-(4-methylthiophen-3-yl)propan-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-3-yl)propan-2-amine is sourced from PubChem (CID 84763675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).