(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine

C15H23NO — CID 59074646

IUPAC(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@]1(Cc2ccccc2)C[C@H](C)CN1C
InChIInChI=1S/C15H23NO/c1-13-9-15(12-17-3,16(2)11-13)10-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyZGVXPZBREVSVHJ-DZGCQCFKSA-N
MW233.36 g/mol
LogP2.59
Rot. Bonds4

About (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine

(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine (PubChem CID 59074646) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine
PubChem CID59074646
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@]1(Cc2ccccc2)C[C@H](C)CN1C
InChIInChI=1S/C15H23NO/c1-13-9-15(12-17-3,16(2)11-13)10-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyZGVXPZBREVSVHJ-DZGCQCFKSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The IUPAC name of (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine (CID 59074646) is (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The canonical SMILES for (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine is COC[C@]1(Cc2ccccc2)C[C@H](C)CN1C.
What is the InChIKey of (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The InChIKey is ZGVXPZBREVSVHJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-9-15(12-17-3,16(2)11-13)10-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
(2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-2-(methoxymethyl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 59074646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).