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

C12H16ClNO2 — CID 82293207

IUPAC5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
SMILESCC1CNC(COc2cccc(Cl)c2)CO1
InChIInChI=1S/C12H16ClNO2/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
InChIKeyXXJUSZQHWGWBRV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.10
Rot. Bonds3

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

5-[(3-chlorophenoxy)methyl]-2-methylmorpholine (PubChem CID 82293207) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
PubChem CID82293207
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
SMILESCC1CNC(COc2cccc(Cl)c2)CO1
InChIInChI=1S/C12H16ClNO2/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
InChIKeyXXJUSZQHWGWBRV-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenoxy)methyl]-2-methylmorpholine
CID 82307608
5-[(3,4-dimethylphenoxy)methyl]-2-methylmorpholine
CID 82291348
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
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CID 115104047
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene
CID 71582304
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
CID 123453200
2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
CID 82282088

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine (CID 82293207) is 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine is CC1CNC(COc2cccc(Cl)c2)CO1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine?
The InChIKey is XXJUSZQHWGWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/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-chlorophenoxy)methyl]-2-methylmorpholine?
5-[(3-chlorophenoxy)methyl]-2-methylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-2-methylmorpholine is sourced from PubChem (CID 82293207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).