2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine

C21H21NOS — CID 23585110

IUPAC2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine
SMILESc1ccc(C2CN(Cc3ccc(-c4ccsc4)cc3)CCO2)cc1
InChIInChI=1S/C21H21NOS/c1-2-4-19(5-3-1)21-15-22(11-12-23-21)14-17-6-8-18(9-7-17)20-10-13-24-16-20/h1-10,13,16,21H,11-12,14-15H2
InChIKeyHCSSAUUSTDTYTD-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.99
Rot. Bonds4

About 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine

2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine (PubChem CID 23585110) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine
PubChem CID23585110
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine
SMILESc1ccc(C2CN(Cc3ccc(-c4ccsc4)cc3)CCO2)cc1
InChIInChI=1S/C21H21NOS/c1-2-4-19(5-3-1)21-15-22(11-12-23-21)14-17-6-8-18(9-7-17)20-10-13-24-16-20/h1-10,13,16,21H,11-12,14-15H2
InChIKeyHCSSAUUSTDTYTD-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine?
The IUPAC name of 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine (CID 23585110) is 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine is c1ccc(C2CN(Cc3ccc(-c4ccsc4)cc3)CCO2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine?
The InChIKey is HCSSAUUSTDTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-2-4-19(5-3-1)21-15-22(11-12-23-21)14-17-6-8-18(9-7-17)20-10-13-24-16-20/h1-10,13,16,21H,11-12,14-15H2.
What are the key properties of 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine?
2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine has a molecular weight of 335.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine is sourced from PubChem (CID 23585110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).