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

C13H19NS — CID 83822698

IUPAC2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
SMILESCc1ccccc1C(CN)C1CCSC1
InChIInChI=1S/C13H19NS/c1-10-4-2-3-5-12(10)13(8-14)11-6-7-15-9-11/h2-5,11,13H,6-9,14H2,1H3
InChIKeyBLMISSTTWBWANN-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.79
Rot. Bonds3

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

2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine (PubChem CID 83822698) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
PubChem CID83822698
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
SMILESCc1ccccc1C(CN)C1CCSC1
InChIInChI=1S/C13H19NS/c1-10-4-2-3-5-12(10)13(8-14)11-6-7-15-9-11/h2-5,11,13H,6-9,14H2,1H3
InChIKeyBLMISSTTWBWANN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132724
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
2-[1-(thian-4-yl)ethyl]aniline
CID 115033039
1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
CID 62624374

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine (CID 83822698) is 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine is Cc1ccccc1C(CN)C1CCSC1.
What is the InChIKey of 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is BLMISSTTWBWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-4-2-3-5-12(10)13(8-14)11-6-7-15-9-11/h2-5,11,13H,6-9,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine?
2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 221.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 83822698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).