1-[2-(thietan-3-yl)phenyl]ethanamine

C11H15NS — CID 83830580

IUPAC1-[2-(thietan-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1CSC1
InChIInChI=1S/C11H15NS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9H,6-7,12H2,1H3
InChIKeyNOQWNNKITSWAKU-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.54
Rot. Bonds2

About 1-[2-(thietan-3-yl)phenyl]ethanamine

1-[2-(thietan-3-yl)phenyl]ethanamine (PubChem CID 83830580) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 1-[2-(thietan-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(thietan-3-yl)phenyl]ethanamine
PubChem CID83830580
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name1-[2-(thietan-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1CSC1
InChIInChI=1S/C11H15NS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9H,6-7,12H2,1H3
InChIKeyNOQWNNKITSWAKU-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thietan-3-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(thietan-3-yl)phenyl]ethanamine (CID 83830580) is 1-[2-(thietan-3-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(thietan-3-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(thietan-3-yl)phenyl]ethanamine is CC(N)c1ccccc1C1CSC1.
What is the InChIKey of 1-[2-(thietan-3-yl)phenyl]ethanamine?
The InChIKey is NOQWNNKITSWAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9H,6-7,12H2,1H3.
What are the key properties of 1-[2-(thietan-3-yl)phenyl]ethanamine?
1-[2-(thietan-3-yl)phenyl]ethanamine has a molecular weight of 193.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thietan-3-yl)phenyl]ethanamine is sourced from PubChem (CID 83830580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).