3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol

C15H24N2O3 — CID 114761278

IUPAC3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccccc1OCCN(C)CC1(O)CCNC1
InChIInChI=1S/C15H24N2O3/c1-17(12-15(18)7-8-16-11-15)9-10-20-14-6-4-3-5-13(14)19-2/h3-6,16,18H,7-12H2,1-2H3
InChIKeyWFIVSKSZPNRGKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.73
Rot. Bonds7

About 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol

3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 114761278) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID114761278
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccccc1OCCN(C)CC1(O)CCNC1
InChIInChI=1S/C15H24N2O3/c1-17(12-15(18)7-8-16-11-15)9-10-20-14-6-4-3-5-13(14)19-2/h3-6,16,18H,7-12H2,1-2H3
InChIKeyWFIVSKSZPNRGKL-UHFFFAOYSA-N
XLogP0.73
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761043
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761139
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 114761032
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120623439
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
CID 125162716
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925460

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (CID 114761278) is 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is COc1ccccc1OCCN(C)CC1(O)CCNC1.
What is the InChIKey of 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is WFIVSKSZPNRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(12-15(18)7-8-16-11-15)9-10-20-14-6-4-3-5-13(14)19-2/h3-6,16,18H,7-12H2,1-2H3.
What are the key properties of 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 280.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).