4-[2-(2-methylphenoxy)ethyl]thiomorpholine

C13H19NOS — CID 86993650

IUPAC4-[2-(2-methylphenoxy)ethyl]thiomorpholine
SMILESCc1ccccc1OCCN1CCSCC1
InChIInChI=1S/C13H19NOS/c1-12-4-2-3-5-13(12)15-9-6-14-7-10-16-11-8-14/h2-5H,6-11H2,1H3
InChIKeyJLBUXSBFEJKORB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-(2-methylphenoxy)ethyl]thiomorpholine

4-[2-(2-methylphenoxy)ethyl]thiomorpholine (PubChem CID 86993650) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[2-(2-methylphenoxy)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(2-methylphenoxy)ethyl]thiomorpholine
PubChem CID86993650
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[2-(2-methylphenoxy)ethyl]thiomorpholine
SMILESCc1ccccc1OCCN1CCSCC1
InChIInChI=1S/C13H19NOS/c1-12-4-2-3-5-13(12)15-9-6-14-7-10-16-11-8-14/h2-5H,6-11H2,1H3
InChIKeyJLBUXSBFEJKORB-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
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ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
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2-(2-thiomorpholin-4-ylethoxy)benzoic acid
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2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
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1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413
1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110638250
N-[[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62413103
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenoxy)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(2-methylphenoxy)ethyl]thiomorpholine (CID 86993650) is 4-[2-(2-methylphenoxy)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(2-methylphenoxy)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(2-methylphenoxy)ethyl]thiomorpholine is Cc1ccccc1OCCN1CCSCC1.
What is the InChIKey of 4-[2-(2-methylphenoxy)ethyl]thiomorpholine?
The InChIKey is JLBUXSBFEJKORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-12-4-2-3-5-13(12)15-9-6-14-7-10-16-11-8-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(2-methylphenoxy)ethyl]thiomorpholine?
4-[2-(2-methylphenoxy)ethyl]thiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenoxy)ethyl]thiomorpholine is sourced from PubChem (CID 86993650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).