4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine

C15H16BrNOS — CID 11450586

IUPAC4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine
SMILESCc1cc(-c2ccc(Br)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C15H16BrNOS/c1-11-10-14(12-2-4-13(16)5-3-12)15(19-11)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyGVDFOASOESSTGL-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.32
Rot. Bonds2

About 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine

4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine (PubChem CID 11450586) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine
PubChem CID11450586
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine
SMILESCc1cc(-c2ccc(Br)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C15H16BrNOS/c1-11-10-14(12-2-4-13(16)5-3-12)15(19-11)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyGVDFOASOESSTGL-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1,3-oxazolidine
CID 150695273
4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
CID 17163609
4-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 1224171
N-[3-(4-bromophenyl)-4-cyano-5-morpholin-4-ylthiophen-2-yl]formamide
CID 143838344
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
CID 56951813
4-[5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylthiophen-2-yl]morpholine
CID 11383440
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
4-(4-methylphenyl)-5-morpholin-4-yldithiole-3-thione
CID 71445921
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine?
The IUPAC name of 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine (CID 11450586) is 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine is Cc1cc(-c2ccc(Br)cc2)c(N2CCOCC2)s1.
What is the InChIKey of 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine?
The InChIKey is GVDFOASOESSTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11-10-14(12-2-4-13(16)5-3-12)15(19-11)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine?
4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine has a molecular weight of 338.27 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine is sourced from PubChem (CID 11450586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).