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

C11H15NS — CID 83830582

IUPAC2-[3-(thietan-3-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2CSC2)c1
InChIInChI=1S/C11H15NS/c12-5-4-9-2-1-3-10(6-9)11-7-13-8-11/h1-3,6,11H,4-5,7-8,12H2
InChIKeyIFVGCLQQOWUYFJ-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.02
Rot. Bonds3

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

2-[3-(thietan-3-yl)phenyl]ethanamine (PubChem CID 83830582) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-[3-(thietan-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(thietan-3-yl)phenyl]ethanamine
PubChem CID83830582
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-[3-(thietan-3-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2CSC2)c1
InChIInChI=1S/C11H15NS/c12-5-4-9-2-1-3-10(6-9)11-7-13-8-11/h1-3,6,11H,4-5,7-8,12H2
InChIKeyIFVGCLQQOWUYFJ-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclopropylphenyl)ethanamine
CID 79983898
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
N-[[3-(thietan-3-yl)phenyl]methyl]hydroxylamine
CID 117285695
3-[3-(isocyanatomethyl)phenyl]thietane
CID 117293755
3-amino-1-[3-(thietan-3-yl)phenyl]propan-1-one
CID 117316972
2-[3-(thiolan-3-yl)phenyl]ethanol
CID 84780337
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
CID 84688736
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-[4-(thiolan-3-yl)phenyl]ethanamine
CID 84779900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thietan-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(thietan-3-yl)phenyl]ethanamine (CID 83830582) is 2-[3-(thietan-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(thietan-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(thietan-3-yl)phenyl]ethanamine is NCCc1cccc(C2CSC2)c1.
What is the InChIKey of 2-[3-(thietan-3-yl)phenyl]ethanamine?
The InChIKey is IFVGCLQQOWUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-5-4-9-2-1-3-10(6-9)11-7-13-8-11/h1-3,6,11H,4-5,7-8,12H2.
What are the key properties of 2-[3-(thietan-3-yl)phenyl]ethanamine?
2-[3-(thietan-3-yl)phenyl]ethanamine has a molecular weight of 193.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thietan-3-yl)phenyl]ethanamine is sourced from PubChem (CID 83830582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).