4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine

C15H16BrNOS — CID 825751

IUPAC4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine
SMILESBrc1cc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C15H16BrNOS/c16-15-10-13(12-4-2-1-3-5-12)14(19-15)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2
InChIKeyHRNXTOFJEWKTJW-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.01
Rot. Bonds3

About 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine

4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine (PubChem CID 825751) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine
PubChem CID825751
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine
SMILESBrc1cc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C15H16BrNOS/c16-15-10-13(12-4-2-1-3-5-12)14(19-15)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2
InChIKeyHRNXTOFJEWKTJW-UHFFFAOYSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine (CID 825751) is 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine is Brc1cc(-c2ccccc2)c(CN2CCOCC2)s1.
What is the InChIKey of 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine?
The InChIKey is HRNXTOFJEWKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-15-10-13(12-4-2-1-3-5-12)14(19-15)11-17-6-8-18-9-7-17/h1-5,10H,6-9,11H2.
What are the key properties of 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine?
4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine has a molecular weight of 338.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-phenylthiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 825751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).