2-(5-chloro-3-methoxy-2-methylphenyl)morpholine

C12H16ClNO2 — CID 117356511

IUPAC2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
SMILESCOc1cc(Cl)cc(C2CNCCO2)c1C
InChIInChI=1S/C12H16ClNO2/c1-8-10(12-7-14-3-4-16-12)5-9(13)6-11(8)15-2/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyOBSKKYCYZYDBOK-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.32
Rot. Bonds2

About 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine

2-(5-chloro-3-methoxy-2-methylphenyl)morpholine (PubChem CID 117356511) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
PubChem CID117356511
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
SMILESCOc1cc(Cl)cc(C2CNCCO2)c1C
InChIInChI=1S/C12H16ClNO2/c1-8-10(12-7-14-3-4-16-12)5-9(13)6-11(8)15-2/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyOBSKKYCYZYDBOK-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)morpholine
CID 117479367
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]morpholine
CID 117403395
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(7-chloro-3-methoxynaphthalen-2-yl)morpholine
CID 117445267
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine?
The IUPAC name of 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine (CID 117356511) is 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine.
What is the SMILES notation for 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine?
The canonical SMILES for 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine is COc1cc(Cl)cc(C2CNCCO2)c1C.
What is the InChIKey of 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine?
The InChIKey is OBSKKYCYZYDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-10(12-7-14-3-4-16-12)5-9(13)6-11(8)15-2/h5-6,12,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine?
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine has a molecular weight of 241.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methoxy-2-methylphenyl)morpholine is sourced from PubChem (CID 117356511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).