5-[(3-bromophenoxy)methyl]-2-methylmorpholine

C12H16BrNO2 — CID 82307608

IUPAC5-[(3-bromophenoxy)methyl]-2-methylmorpholine
SMILESCC1CNC(COc2cccc(Br)c2)CO1
InChIInChI=1S/C12H16BrNO2/c1-9-6-14-11(7-15-9)8-16-12-4-2-3-10(13)5-12/h2-5,9,11,14H,6-8H2,1H3
InChIKeyTVKSTNLKZWGTCM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds3

About 5-[(3-bromophenoxy)methyl]-2-methylmorpholine

5-[(3-bromophenoxy)methyl]-2-methylmorpholine (PubChem CID 82307608) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-2-methylmorpholine
PubChem CID82307608
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-[(3-bromophenoxy)methyl]-2-methylmorpholine
SMILESCC1CNC(COc2cccc(Br)c2)CO1
InChIInChI=1S/C12H16BrNO2/c1-9-6-14-11(7-15-9)8-16-12-4-2-3-10(13)5-12/h2-5,9,11,14H,6-8H2,1H3
InChIKeyTVKSTNLKZWGTCM-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
CID 82293207
5-[(3,4-dimethylphenoxy)methyl]-2-methylmorpholine
CID 82291348
2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104079
2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
1-bromo-3-ethoxybenzene;ethane
CID 143900364
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305
1-[(3-bromophenoxy)methyl]-2-methylcyclopropan-1-amine
CID 84708804
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methylmorpholine?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-2-methylmorpholine (CID 82307608) is 5-[(3-bromophenoxy)methyl]-2-methylmorpholine.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-2-methylmorpholine?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-2-methylmorpholine is CC1CNC(COc2cccc(Br)c2)CO1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-2-methylmorpholine?
The InChIKey is TVKSTNLKZWGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9-6-14-11(7-15-9)8-16-12-4-2-3-10(13)5-12/h2-5,9,11,14H,6-8H2,1H3.
What are the key properties of 5-[(3-bromophenoxy)methyl]-2-methylmorpholine?
5-[(3-bromophenoxy)methyl]-2-methylmorpholine has a molecular weight of 286.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-2-methylmorpholine is sourced from PubChem (CID 82307608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).