3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol

C26H37N3O3 — CID 132779151

IUPAC3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)CC2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1
InChIInChI=1S/C26H37N3O3/c1-27(17-22-6-8-25(31-2)9-7-22)20-26(30)10-11-29(21-26)19-24-5-3-4-23(16-24)18-28-12-14-32-15-13-28/h3-9,16,30H,10-15,17-21H2,1-2H3
InChIKeyMAHVSDARKNDHLP-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.60
Rot. Bonds9

About 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol

3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 132779151) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID132779151
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)CC2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1
InChIInChI=1S/C26H37N3O3/c1-27(17-22-6-8-25(31-2)9-7-22)20-26(30)10-11-29(21-26)19-24-5-3-4-23(16-24)18-28-12-14-32-15-13-28/h3-9,16,30H,10-15,17-21H2,1-2H3
InChIKeyMAHVSDARKNDHLP-UHFFFAOYSA-N
XLogP2.60
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132778938
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132779313
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
[3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 127245257
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol (CID 132779151) is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol is COc1ccc(CN(C)CC2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is MAHVSDARKNDHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-27(17-22-6-8-25(31-2)9-7-22)20-26(30)10-11-29(21-26)19-24-5-3-4-23(16-24)18-28-12-14-32-15-13-28/h3-9,16,30H,10-15,17-21H2,1-2H3.
What are the key properties of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol?
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 439.60 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132779151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).