1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol

C24H34N2O5 — CID 46006818

IUPAC1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CN(CCN2CCOCC2)CC(O)COc2ccccc2)cc1OC
InChIInChI=1S/C24H34N2O5/c1-28-23-9-8-20(16-24(23)29-2)17-26(11-10-25-12-14-30-15-13-25)18-21(27)19-31-22-6-4-3-5-7-22/h3-9,16,21,27H,10-15,17-19H2,1-2H3
InChIKeyDFTOAOTXKVNMBJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.28
Rot. Bonds12

About 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol

1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 46006818) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
PubChem CID46006818
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(CN(CCN2CCOCC2)CC(O)COc2ccccc2)cc1OC
InChIInChI=1S/C24H34N2O5/c1-28-23-9-8-20(16-24(23)29-2)17-26(11-10-25-12-14-30-15-13-25)18-21(27)19-31-22-6-4-3-5-7-22/h3-9,16,21,27H,10-15,17-19H2,1-2H3
InChIKeyDFTOAOTXKVNMBJ-UHFFFAOYSA-N
XLogP2.28
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006821
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]hex-5-en-2-ol
CID 93160809
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 46007761
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
1-(diethylamino)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
CID 45242296
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol (CID 46006818) is 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol is COc1ccc(CN(CCN2CCOCC2)CC(O)COc2ccccc2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is DFTOAOTXKVNMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-28-23-9-8-20(16-24(23)29-2)17-26(11-10-25-12-14-30-15-13-25)18-21(27)19-31-22-6-4-3-5-7-22/h3-9,16,21,27H,10-15,17-19H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 430.55 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 46006818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).