2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine

C16H23NO2 — CID 117408371

IUPAC2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
SMILESCC1(COc2ccc(C3(C)CCCN3)cc2)COC1
InChIInChI=1S/C16H23NO2/c1-15(10-18-11-15)12-19-14-6-4-13(5-7-14)16(2)8-3-9-17-16/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYBBAPYGUYANRNN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.70
Rot. Bonds4

About 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine

2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine (PubChem CID 117408371) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
PubChem CID117408371
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
SMILESCC1(COc2ccc(C3(C)CCCN3)cc2)COC1
InChIInChI=1S/C16H23NO2/c1-15(10-18-11-15)12-19-14-6-4-13(5-7-14)16(2)8-3-9-17-16/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYBBAPYGUYANRNN-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine?
The IUPAC name of 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine (CID 117408371) is 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine.
What is the SMILES notation for 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine?
The canonical SMILES for 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine is CC1(COc2ccc(C3(C)CCCN3)cc2)COC1.
What is the InChIKey of 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine?
The InChIKey is YBBAPYGUYANRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(10-18-11-15)12-19-14-6-4-13(5-7-14)16(2)8-3-9-17-16/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine?
2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine has a molecular weight of 261.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine is sourced from PubChem (CID 117408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).