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

C21H27NO4 — CID 42861424

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
SMILESCOc1ccc(CN2CCOC(COc3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C21H27NO4/c1-16-4-7-18(8-5-16)26-15-19-14-22(10-11-25-19)13-17-6-9-20(23-2)21(12-17)24-3/h4-9,12,19H,10-11,13-15H2,1-3H3
InChIKeyHQRMFBIMYPSUOU-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.29
Rot. Bonds7

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

4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine (PubChem CID 42861424) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
PubChem CID42861424
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
SMILESCOc1ccc(CN2CCOC(COc3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C21H27NO4/c1-16-4-7-18(8-5-16)26-15-19-14-22(10-11-25-19)13-17-6-9-20(23-2)21(12-17)24-3/h4-9,12,19H,10-11,13-15H2,1-3H3
InChIKeyHQRMFBIMYPSUOU-UHFFFAOYSA-N
XLogP3.29
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
CID 46041207
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
4-ethyl-2-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]morpholine
CID 44581056
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 81213290

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine (CID 42861424) is 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine is COc1ccc(CN2CCOC(COc3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine?
The InChIKey is HQRMFBIMYPSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-16-4-7-18(8-5-16)26-15-19-14-22(10-11-25-19)13-17-6-9-20(23-2)21(12-17)24-3/h4-9,12,19H,10-11,13-15H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine?
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine has a molecular weight of 357.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine is sourced from PubChem (CID 42861424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).