4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine

C22H29NO4 — CID 137342586

IUPAC4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(Cc2cccc(OC)c2OCCN2CCOCC2)cc1C
InChIInChI=1S/C22H29NO4/c1-17-15-18(7-8-20(17)24-2)16-19-5-4-6-21(25-3)22(19)27-14-11-23-9-12-26-13-10-23/h4-8,15H,9-14,16H2,1-3H3
InChIKeyVDBNTZCITLUOGV-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.31
Rot. Bonds8

About 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine

4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine (PubChem CID 137342586) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
PubChem CID137342586
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(Cc2cccc(OC)c2OCCN2CCOCC2)cc1C
InChIInChI=1S/C22H29NO4/c1-17-15-18(7-8-20(17)24-2)16-19-5-4-6-21(25-3)22(19)27-14-11-23-9-12-26-13-10-23/h4-8,15H,9-14,16H2,1-3H3
InChIKeyVDBNTZCITLUOGV-UHFFFAOYSA-N
XLogP3.31
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
CID 156846731
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
4-[2-(2,3-dimethoxy-6-propan-2-ylphenoxy)ethyl]morpholine
CID 20871911
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine (CID 137342586) is 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine is COc1ccc(Cc2cccc(OC)c2OCCN2CCOCC2)cc1C.
What is the InChIKey of 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine?
The InChIKey is VDBNTZCITLUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-17-15-18(7-8-20(17)24-2)16-19-5-4-6-21(25-3)22(19)27-14-11-23-9-12-26-13-10-23/h4-8,15H,9-14,16H2,1-3H3.
What are the key properties of 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine?
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine has a molecular weight of 371.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 137342586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).