2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine

C17H26N2O2 — CID 117469494

IUPAC2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
SMILESCOc1c(OC2CCN(C)C2)cccc1C1(C)CCCN1
InChIInChI=1S/C17H26N2O2/c1-17(9-5-10-18-17)14-6-4-7-15(16(14)20-3)21-13-8-11-19(2)12-13/h4,6-7,13,18H,5,8-12H2,1-3H3
InChIKeyGBVGKIMUHRJYMP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine

2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine (PubChem CID 117469494) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
PubChem CID117469494
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
SMILESCOc1c(OC2CCN(C)C2)cccc1C1(C)CCCN1
InChIInChI=1S/C17H26N2O2/c1-17(9-5-10-18-17)14-6-4-7-15(16(14)20-3)21-13-8-11-19(2)12-13/h4,6-7,13,18H,5,8-12H2,1-3H3
InChIKeyGBVGKIMUHRJYMP-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
CID 117438903
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine (CID 117469494) is 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine is COc1c(OC2CCN(C)C2)cccc1C1(C)CCCN1.
What is the InChIKey of 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine?
The InChIKey is GBVGKIMUHRJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(9-5-10-18-17)14-6-4-7-15(16(14)20-3)21-13-8-11-19(2)12-13/h4,6-7,13,18H,5,8-12H2,1-3H3.
What are the key properties of 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine?
2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine has a molecular weight of 290.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117469494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).