3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine

C17H26N2O2 — CID 117469461

IUPAC3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1OC1CCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-10-8-15(12-19)21-16-7-3-5-13(17(16)20-2)11-14-6-4-9-18-14/h3,5,7,14-15,18H,4,6,8-12H2,1-2H3
InChIKeyQTJLUYJTSQLTCS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds5

About 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine

3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine (PubChem CID 117469461) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
PubChem CID117469461
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1OC1CCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-10-8-15(12-19)21-16-7-3-5-13(17(16)20-2)11-14-6-4-9-18-14/h3,5,7,14-15,18H,4,6,8-12H2,1-2H3
InChIKeyQTJLUYJTSQLTCS-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
CID 117469494
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine?
The IUPAC name of 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine (CID 117469461) is 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine.
What is the SMILES notation for 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine?
The canonical SMILES for 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine is COc1c(CC2CCCN2)cccc1OC1CCN(C)C1.
What is the InChIKey of 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine?
The InChIKey is QTJLUYJTSQLTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-10-8-15(12-19)21-16-7-3-5-13(17(16)20-2)11-14-6-4-9-18-14/h3,5,7,14-15,18H,4,6,8-12H2,1-2H3.
What are the key properties of 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine?
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine is sourced from PubChem (CID 117469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).