(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine

C16H25NO — CID 70269069

IUPAC(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine
SMILESCC(C)Cc1ccccc1CO[C@H]1CNC[C@H]1C
InChIInChI=1S/C16H25NO/c1-12(2)8-14-6-4-5-7-15(14)11-18-16-10-17-9-13(16)3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-,16+/m1/s1
InChIKeyHALHZZNFYIVBGT-CJNGLKHVSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds5

About (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine

(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine (PubChem CID 70269069) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine
PubChem CID70269069
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine
SMILESCC(C)Cc1ccccc1CO[C@H]1CNC[C@H]1C
InChIInChI=1S/C16H25NO/c1-12(2)8-14-6-4-5-7-15(14)11-18-16-10-17-9-13(16)3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-,16+/m1/s1
InChIKeyHALHZZNFYIVBGT-CJNGLKHVSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine (CID 70269069) is (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine is CC(C)Cc1ccccc1CO[C@H]1CNC[C@H]1C.
What is the InChIKey of (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine?
The InChIKey is HALHZZNFYIVBGT-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)8-14-6-4-5-7-15(14)11-18-16-10-17-9-13(16)3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine?
(3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-[[2-(2-methylpropyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 70269069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).