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

C16H26N2O3 — CID 114761043

IUPAC3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCCOc1ccccc1OCCN(C)CC1(O)CCNC1
InChIInChI=1S/C16H26N2O3/c1-3-20-14-6-4-5-7-15(14)21-11-10-18(2)13-16(19)8-9-17-12-16/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyDCZNTLXVQXPEJZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.12
Rot. Bonds8

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

3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 114761043) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID114761043
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCCOc1ccccc1OCCN(C)CC1(O)CCNC1
InChIInChI=1S/C16H26N2O3/c1-3-20-14-6-4-5-7-15(14)21-11-10-18(2)13-16(19)8-9-17-12-16/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyDCZNTLXVQXPEJZ-UHFFFAOYSA-N
XLogP1.12
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761278
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 114761032
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761139
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
CID 79451109
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
CID 79452061
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-4-ol
CID 55048388
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (CID 114761043) is 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is CCOc1ccccc1OCCN(C)CC1(O)CCNC1.
What is the InChIKey of 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is DCZNTLXVQXPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-20-14-6-4-5-7-15(14)21-11-10-18(2)13-16(19)8-9-17-12-16/h4-7,17,19H,3,8-13H2,1-2H3.
What are the key properties of 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 294.40 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).