4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine

C21H25NO5 — CID 56873494

IUPAC4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3cc4c(cc3OC)OCO4)CCO2)c1
InChIInChI=1S/C21H25NO5/c1-23-17-5-3-4-15(8-17)9-18-13-22(6-7-25-18)12-16-10-20-21(27-14-26-20)11-19(16)24-2/h3-5,8,10-11,18H,6-7,9,12-14H2,1-2H3
InChIKeyYCTYNRZRTDJTHN-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.88
Rot. Bonds6

About 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine

4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine (PubChem CID 56873494) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
PubChem CID56873494
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3cc4c(cc3OC)OCO4)CCO2)c1
InChIInChI=1S/C21H25NO5/c1-23-17-5-3-4-15(8-17)9-18-13-22(6-7-25-18)12-16-10-20-21(27-14-26-20)11-19(16)24-2/h3-5,8,10-11,18H,6-7,9,12-14H2,1-2H3
InChIKeyYCTYNRZRTDJTHN-UHFFFAOYSA-N
XLogP2.88
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine (CID 56873494) is 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine is COc1cccc(CC2CN(Cc3cc4c(cc3OC)OCO4)CCO2)c1.
What is the InChIKey of 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
The InChIKey is YCTYNRZRTDJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-23-17-5-3-4-15(8-17)9-18-13-22(6-7-25-18)12-16-10-20-21(27-14-26-20)11-19(16)24-2/h3-5,8,10-11,18H,6-7,9,12-14H2,1-2H3.
What are the key properties of 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine?
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine has a molecular weight of 371.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 56873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).