3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine

C18H21NO2 — CID 68927596

IUPAC3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1cccc(-c2ccccc2COC2CCNC2)c1
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-6-14(11-16)18-8-3-2-5-15(18)13-21-17-9-10-19-12-17/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyXJVBKGMCAKJZTO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds5

About 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine

3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine (PubChem CID 68927596) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
PubChem CID68927596
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1cccc(-c2ccccc2COC2CCNC2)c1
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-6-14(11-16)18-8-3-2-5-15(18)13-21-17-9-10-19-12-17/h2-8,11,17,19H,9-10,12-13H2,1H3
InChIKeyXJVBKGMCAKJZTO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68926900
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68921724
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
CID 68921723
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
CID 68922925
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine
CID 68927149
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine (CID 68927596) is 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine is COc1cccc(-c2ccccc2COC2CCNC2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The InChIKey is XJVBKGMCAKJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-7-4-6-14(11-16)18-8-3-2-5-15(18)13-21-17-9-10-19-12-17/h2-8,11,17,19H,9-10,12-13H2,1H3.
What are the key properties of 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine?
3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine has a molecular weight of 283.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 68927596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).