3-(4-bromo-2,6-dimethoxyphenyl)morpholine

C12H16BrNO3 — CID 154562086

IUPAC3-(4-bromo-2,6-dimethoxyphenyl)morpholine
SMILESCOc1cc(Br)cc(OC)c1C1COCCN1
InChIInChI=1S/C12H16BrNO3/c1-15-10-5-8(13)6-11(16-2)12(10)9-7-17-4-3-14-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyNICJXCZYJKNAOT-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.13
Rot. Bonds3

About 3-(4-bromo-2,6-dimethoxyphenyl)morpholine

3-(4-bromo-2,6-dimethoxyphenyl)morpholine (PubChem CID 154562086) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethoxyphenyl)morpholine.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethoxyphenyl)morpholine
PubChem CID154562086
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name3-(4-bromo-2,6-dimethoxyphenyl)morpholine
SMILESCOc1cc(Br)cc(OC)c1C1COCCN1
InChIInChI=1S/C12H16BrNO3/c1-15-10-5-8(13)6-11(16-2)12(10)9-7-17-4-3-14-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyNICJXCZYJKNAOT-UHFFFAOYSA-N
XLogP2.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethoxyphenyl)morpholine?
The IUPAC name of 3-(4-bromo-2,6-dimethoxyphenyl)morpholine (CID 154562086) is 3-(4-bromo-2,6-dimethoxyphenyl)morpholine.
What is the SMILES notation for 3-(4-bromo-2,6-dimethoxyphenyl)morpholine?
The canonical SMILES for 3-(4-bromo-2,6-dimethoxyphenyl)morpholine is COc1cc(Br)cc(OC)c1C1COCCN1.
What is the InChIKey of 3-(4-bromo-2,6-dimethoxyphenyl)morpholine?
The InChIKey is NICJXCZYJKNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-15-10-5-8(13)6-11(16-2)12(10)9-7-17-4-3-14-9/h5-6,9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-bromo-2,6-dimethoxyphenyl)morpholine?
3-(4-bromo-2,6-dimethoxyphenyl)morpholine has a molecular weight of 302.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethoxyphenyl)morpholine is sourced from PubChem (CID 154562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).