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

C12H17NOS — CID 84688736

IUPAC2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC2CSC2)c1
InChIInChI=1S/C12H17NOS/c13-5-4-10-2-1-3-12(6-10)14-7-11-8-15-9-11/h1-3,6,11H,4-5,7-9,13H2
InChIKeyMOOLWUJEHDPQBO-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.93
Rot. Bonds5

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

2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine (PubChem CID 84688736) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
PubChem CID84688736
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC2CSC2)c1
InChIInChI=1S/C12H17NOS/c13-5-4-10-2-1-3-12(6-10)14-7-11-8-15-9-11/h1-3,6,11H,4-5,7-9,13H2
InChIKeyMOOLWUJEHDPQBO-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-[3-(thietan-3-yl)phenyl]ethanamine
CID 83830582
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 54930853
2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
CID 105490106
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
CID 68877599

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine (CID 84688736) is 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine is NCCc1cccc(OCC2CSC2)c1.
What is the InChIKey of 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is MOOLWUJEHDPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-5-4-10-2-1-3-12(6-10)14-7-11-8-15-9-11/h1-3,6,11H,4-5,7-9,13H2.
What are the key properties of 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine?
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 223.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 84688736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).