2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine

C17H21NO2S — CID 83288060

IUPAC2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine
SMILESCc1ccc(OCC2CN(Cc3cccs3)CCO2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-4-6-15(7-5-14)20-13-16-11-18(8-9-19-16)12-17-3-2-10-21-17/h2-7,10,16H,8-9,11-13H2,1H3
InChIKeyMMUDISXPXQFTPK-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.34
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine

2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine (PubChem CID 83288060) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine
PubChem CID83288060
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine
SMILESCc1ccc(OCC2CN(Cc3cccs3)CCO2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-4-6-15(7-5-14)20-13-16-11-18(8-9-19-16)12-17-3-2-10-21-17/h2-7,10,16H,8-9,11-13H2,1H3
InChIKeyMMUDISXPXQFTPK-UHFFFAOYSA-N
XLogP3.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine (CID 83288060) is 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine is Cc1ccc(OCC2CN(Cc3cccs3)CCO2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The InChIKey is MMUDISXPXQFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-4-6-15(7-5-14)20-13-16-11-18(8-9-19-16)12-17-3-2-10-21-17/h2-7,10,16H,8-9,11-13H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine?
2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine has a molecular weight of 303.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-4-(thiophen-2-ylmethyl)morpholine is sourced from PubChem (CID 83288060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).