1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

C24H34N2O5 — CID 132778938

IUPAC1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)CC2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1
InChIInChI=1S/C24H34N2O5/c1-25(15-19-4-7-21(29-2)8-5-19)17-24(28)10-11-26(18-24)16-20-6-9-22(31-13-12-27)23(14-20)30-3/h4-9,14,27-28H,10-13,15-18H2,1-3H3
InChIKeyDPGDEQJMBMSFFG-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.14
Rot. Bonds11

About 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 132778938) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID132778938
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)CC2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1
InChIInChI=1S/C24H34N2O5/c1-25(15-19-4-7-21(29-2)8-5-19)17-24(28)10-11-26(18-24)16-20-6-9-22(31-13-12-27)23(14-20)30-3/h4-9,14,27-28H,10-13,15-18H2,1-3H3
InChIKeyDPGDEQJMBMSFFG-UHFFFAOYSA-N
XLogP2.14
TPSA74.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132779313
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132779151
1-[4-[[1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 132772777
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
1-(5-fluoro-2-pyridinyl)-3-[[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132778658
3-[[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]methyl]-1-pyridin-2-ylpyrrolidin-3-ol
CID 132767798
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780613
[(3S)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124947723
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
[3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 127245257

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (CID 132778938) is 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is COc1ccc(CN(C)CC2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1.
What is the InChIKey of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is DPGDEQJMBMSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-25(15-19-4-7-21(29-2)8-5-19)17-24(28)10-11-26(18-24)16-20-6-9-22(31-13-12-27)23(14-20)30-3/h4-9,14,27-28H,10-13,15-18H2,1-3H3.
What are the key properties of 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 430.55 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132778938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).