4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

C11H16BrNOS — CID 23737005

IUPAC4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWDHIJWXJKGEVDF-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.12
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 23737005) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
PubChem CID23737005
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWDHIJWXJKGEVDF-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Thiophen-2-ylmethyl)morpholine
CID 240843
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
4-[(4-Bromothien-2-YL)methyl]morpholine
CID 783497
1-[(5-Bromothiophen-2-yl)methyl]piperidin-4-ol
CID 677200
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
1-[(5-Bromothiophen-2-yl)methyl]piperidin-3-ol
CID 3787283
1-[(5-Bromothiophen-2-yl)methyl-methylamino]-3-(2-hydroxyethoxy)propan-2-ol
CID 71847948
2-[4-[(5-Bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 742476
4-[(5-Butyl-2-thienyl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
2-[(5-Bromothiophen-2-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 60302207
(2S)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551364
(2R)-4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551365

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (CID 23737005) is 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2ccc(Br)s2)CC(C)O1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is WDHIJWXJKGEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-5-13(6-9(2)14-8)7-10-3-4-11(12)15-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 290.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 23737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).