(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine

C26H36N2O2 — CID 11144002

IUPAC(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2CCN2CCC[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C26H36N2O2/c1-3-9-23(10-4-1)19-29-21-25-13-7-15-27(25)17-18-28-16-8-14-26(28)22-30-20-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2/t25-,26-/m0/s1
InChIKeyXMZNZKSWYCIURQ-UIOOFZCWSA-N
MW408.59 g/mol
LogP4.35
Rot. Bonds11

About (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine

(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine (PubChem CID 11144002) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine
PubChem CID11144002
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2CCN2CCC[C@H]2COCc2ccccc2)cc1
InChIInChI=1S/C26H36N2O2/c1-3-9-23(10-4-1)19-29-21-25-13-7-15-27(25)17-18-28-16-8-14-26(28)22-30-20-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2/t25-,26-/m0/s1
InChIKeyXMZNZKSWYCIURQ-UIOOFZCWSA-N
XLogP4.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
1-(Phenylmethoxy)-2-pyrrolidinyl-1-(pyrrolidinylmethyl)ethane
CID 757920
Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CID 10421017
(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(2S,4S,5R)-3,4-dimethyl-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidine
CID 13068826
Benzyl 4,4-dimethyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 46945129
1-Benzyl-2-(phenylmethoxymethyl)pyrrolidine
CID 102006711
2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
CID 164639441
2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 401877
2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 401879
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 11617371
Benzyl 4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 23089613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine (CID 11144002) is (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine is c1ccc(COC[C@@H]2CCCN2CCN2CCC[C@H]2COCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine?
The InChIKey is XMZNZKSWYCIURQ-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-3-9-23(10-4-1)19-29-21-25-13-7-15-27(25)17-18-28-16-8-14-26(28)22-30-20-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2/t25-,26-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine?
(2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine has a molecular weight of 408.59 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethyl)-1-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidine is sourced from PubChem (CID 11144002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).