1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol

C26H38N2O5 — CID 155992119

IUPAC1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCOc1cc(CN(C)CC(O)COc2ccc(C)cc2C)ccc1OCCN1CCOCC1
InChIInChI=1S/C26H38N2O5/c1-20-5-7-24(21(2)15-20)33-19-23(29)18-27(3)17-22-6-8-25(26(16-22)30-4)32-14-11-28-9-12-31-13-10-28/h5-8,15-16,23,29H,9-14,17-19H2,1-4H3
InChIKeyRXEFUMGQBDSGEB-UHFFFAOYSA-N
MW458.60 g/mol
LogP2.89
Rot. Bonds12

About 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol (PubChem CID 155992119) has the molecular formula C26H38N2O5 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
PubChem CID155992119
Molecular FormulaC26H38N2O5
Molecular Weight458.60 g/mol
Exact Mass458.28
IUPAC Name1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCOc1cc(CN(C)CC(O)COc2ccc(C)cc2C)ccc1OCCN1CCOCC1
InChIInChI=1S/C26H38N2O5/c1-20-5-7-24(21(2)15-20)33-19-23(29)18-27(3)17-22-6-8-25(26(16-22)30-4)32-14-11-28-9-12-31-13-10-28/h5-8,15-16,23,29H,9-14,17-19H2,1-4H3
InChIKeyRXEFUMGQBDSGEB-UHFFFAOYSA-N
XLogP2.89
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 167244414
1-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl-methylamino]-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 167244426
1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 167244236
1-(2-bromophenoxy)-3-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 156789933
1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 110882133
(2S)-1-[4-[[cyclopentylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269233
1-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72928593
1-(diethylamino)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
CID 45242296
1-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72866176
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol (CID 155992119) is 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol is COc1cc(CN(C)CC(O)COc2ccc(C)cc2C)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is RXEFUMGQBDSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5/c1-20-5-7-24(21(2)15-20)33-19-23(29)18-27(3)17-22-6-8-25(26(16-22)30-4)32-14-11-28-9-12-31-13-10-28/h5-8,15-16,23,29H,9-14,17-19H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 458.60 g/mol, XLogP of 2.89, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 155992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).