2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine

C13H19NS — CID 83822696

IUPAC2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine
SMILESCc1ccccc1C1(CCN)CCSC1
InChIInChI=1S/C13H19NS/c1-11-4-2-3-5-12(11)13(6-8-14)7-9-15-10-13/h2-5H,6-10,14H2,1H3
InChIKeyOVLCVCCYJGEJPO-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.72
Rot. Bonds3

About 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine

2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine (PubChem CID 83822696) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine
PubChem CID83822696
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine
SMILESCc1ccccc1C1(CCN)CCSC1
InChIInChI=1S/C13H19NS/c1-11-4-2-3-5-12(11)13(6-8-14)7-9-15-10-13/h2-5H,6-10,14H2,1H3
InChIKeyOVLCVCCYJGEJPO-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine (CID 83822696) is 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine is Cc1ccccc1C1(CCN)CCSC1.
What is the InChIKey of 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine?
The InChIKey is OVLCVCCYJGEJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11-4-2-3-5-12(11)13(6-8-14)7-9-15-10-13/h2-5H,6-10,14H2,1H3.
What are the key properties of 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine?
2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine has a molecular weight of 221.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)thiolan-3-yl]ethanamine is sourced from PubChem (CID 83822696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).