2-(3-methylthiophen-2-yl)oxyethanamine

C7H11NOS — CID 67617021

IUPAC2-(3-methylthiophen-2-yl)oxyethanamine
SMILESCc1ccsc1OCCN
InChIInChI=1S/C7H11NOS/c1-6-2-5-10-7(6)9-4-3-8/h2,5H,3-4,8H2,1H3
InChIKeyDUCJIGJFQGLYOB-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.39
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)oxyethanamine

2-(3-methylthiophen-2-yl)oxyethanamine (PubChem CID 67617021) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)oxyethanamine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)oxyethanamine
PubChem CID67617021
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(3-methylthiophen-2-yl)oxyethanamine
SMILESCc1ccsc1OCCN
InChIInChI=1S/C7H11NOS/c1-6-2-5-10-7(6)9-4-3-8/h2,5H,3-4,8H2,1H3
InChIKeyDUCJIGJFQGLYOB-UHFFFAOYSA-N
XLogP1.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)oxyethanamine?
The IUPAC name of 2-(3-methylthiophen-2-yl)oxyethanamine (CID 67617021) is 2-(3-methylthiophen-2-yl)oxyethanamine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)oxyethanamine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)oxyethanamine is Cc1ccsc1OCCN.
What is the InChIKey of 2-(3-methylthiophen-2-yl)oxyethanamine?
The InChIKey is DUCJIGJFQGLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6-2-5-10-7(6)9-4-3-8/h2,5H,3-4,8H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)oxyethanamine?
2-(3-methylthiophen-2-yl)oxyethanamine has a molecular weight of 157.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)oxyethanamine is sourced from PubChem (CID 67617021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).