2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine

C16H24N2O2 — CID 117442925

IUPAC2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)cc1OC1CN(C)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-14(11-18)20-16-9-12(5-6-15(16)19-2)8-13-4-3-7-17-13/h5-6,9,13-14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyFXUWVHRMSGMXED-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds5

About 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine

2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine (PubChem CID 117442925) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
PubChem CID117442925
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)cc1OC1CN(C)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-14(11-18)20-16-9-12(5-6-15(16)19-2)8-13-4-3-7-17-13/h5-6,9,13-14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyFXUWVHRMSGMXED-UHFFFAOYSA-N
XLogP1.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117384188
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine (CID 117442925) is 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine is COc1ccc(CC2CCCN2)cc1OC1CN(C)C1.
What is the InChIKey of 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine?
The InChIKey is FXUWVHRMSGMXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-10-14(11-18)20-16-9-12(5-6-15(16)19-2)8-13-4-3-7-17-13/h5-6,9,13-14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine?
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine has a molecular weight of 276.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine is sourced from PubChem (CID 117442925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).