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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Related Compounds

(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
CID 84800886
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3S)-3-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]morpholine
CID 171193437
3-(3,5-dibromophenyl)morpholine
CID 126971173
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677

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).