4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine

C22H29NO4 — CID 42867915

IUPAC4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
SMILESCOc1ccc(OC)c(C(CCN2CCOCC2)Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-17-4-6-18(7-5-17)27-22(10-11-23-12-14-26-15-13-23)20-16-19(24-2)8-9-21(20)25-3/h4-9,16,22H,10-15H2,1-3H3
InChIKeyPLMBRZRGOYLSFD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.85
Rot. Bonds8

About 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine

4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine (PubChem CID 42867915) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
PubChem CID42867915
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
SMILESCOc1ccc(OC)c(C(CCN2CCOCC2)Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-17-4-6-18(7-5-17)27-22(10-11-23-12-14-26-15-13-23)20-16-19(24-2)8-9-21(20)25-3/h4-9,16,22H,10-15H2,1-3H3
InChIKeyPLMBRZRGOYLSFD-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-fluoro-5-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
CID 42867792
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
CID 42869879
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(3,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-3-(4-methylphenoxy)propyl]piperazine
CID 42867816
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
CID 1363274

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine (CID 42867915) is 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine is COc1ccc(OC)c(C(CCN2CCOCC2)Oc2ccc(C)cc2)c1.
What is the InChIKey of 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine?
The InChIKey is PLMBRZRGOYLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-17-4-6-18(7-5-17)27-22(10-11-23-12-14-26-15-13-23)20-16-19(24-2)8-9-21(20)25-3/h4-9,16,22H,10-15H2,1-3H3.
What are the key properties of 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine?
4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine has a molecular weight of 371.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine is sourced from PubChem (CID 42867915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).