2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine

C12H19NOS — CID 83823387

IUPAC2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1ccsc1C(CN)C1CCOCC1
InChIInChI=1S/C12H19NOS/c1-9-4-7-15-12(9)11(8-13)10-2-5-14-6-3-10/h4,7,10-11H,2-3,5-6,8,13H2,1H3
InChIKeyPYVCPVOCEMUGRU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.53
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine

2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 83823387) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
PubChem CID83823387
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1ccsc1C(CN)C1CCOCC1
InChIInChI=1S/C12H19NOS/c1-9-4-7-15-12(9)11(8-13)10-2-5-14-6-3-10/h4,7,10-11H,2-3,5-6,8,13H2,1H3
InChIKeyPYVCPVOCEMUGRU-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
2-cyclobutyloxy-2-(3-methylthiophen-2-yl)ethanamine
CID 62115425
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 83637307
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43613882
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine (CID 83823387) is 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine is Cc1ccsc1C(CN)C1CCOCC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is PYVCPVOCEMUGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-4-7-15-12(9)11(8-13)10-2-5-14-6-3-10/h4,7,10-11H,2-3,5-6,8,13H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine?
2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 83823387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).