4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine

C21H25NO5 — CID 42867823

IUPAC4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
SMILESCOc1cccc(C(CCN2CCOCC2)Oc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H25NO5/c1-23-17-4-2-3-16(13-17)19(7-8-22-9-11-24-12-10-22)27-18-5-6-20-21(14-18)26-15-25-20/h2-6,13-14,19H,7-12,15H2,1H3
InChIKeyMEOZJJZINMCPIC-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.27
Rot. Bonds7

About 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine

4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine (PubChem CID 42867823) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
PubChem CID42867823
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
SMILESCOc1cccc(C(CCN2CCOCC2)Oc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H25NO5/c1-23-17-4-2-3-16(13-17)19(7-8-22-9-11-24-12-10-22)27-18-5-6-20-21(14-18)26-15-25-20/h2-6,13-14,19H,7-12,15H2,1H3
InChIKeyMEOZJJZINMCPIC-UHFFFAOYSA-N
XLogP3.27
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methoxyphenyl)piperazine
CID 101093529
1-[3-(3-methoxyphenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 46071688
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
CID 42867932
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methylphenyl)piperazine
CID 42867943
4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
CID 42869879
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847
4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
CID 42867915
4-[3-(2-fluoro-5-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
CID 42867792
1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluorophenyl)-3-(3-propan-2-ylphenoxy)propyl]piperazine
CID 46068902
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623597

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine (CID 42867823) is 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine is COc1cccc(C(CCN2CCOCC2)Oc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine?
The InChIKey is MEOZJJZINMCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-23-17-4-2-3-16(13-17)19(7-8-22-9-11-24-12-10-22)27-18-5-6-20-21(14-18)26-15-25-20/h2-6,13-14,19H,7-12,15H2,1H3.
What are the key properties of 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine?
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine has a molecular weight of 371.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine is sourced from PubChem (CID 42867823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).