(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine

C22H28N2O2 — CID 11416880

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-25-18-22-13-8-14-24(22)23-15-21(20-11-6-3-7-12-20)17-26-16-19-9-4-2-5-10-19/h2-7,9-12,15,21-22H,8,13-14,16-18H2,1H3/b23-15+/t21-,22+/m1/s1
InChIKeyRFDZGYPCRAXZSN-WCQUILQHSA-N
MW352.48 g/mol
LogP4.08
Rot. Bonds9

About (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine (PubChem CID 11416880) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine
PubChem CID11416880
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-25-18-22-13-8-14-24(22)23-15-21(20-11-6-3-7-12-20)17-26-16-19-9-4-2-5-10-19/h2-7,9-12,15,21-22H,8,13-14,16-18H2,1H3/b23-15+/t21-,22+/m1/s1
InChIKeyRFDZGYPCRAXZSN-WCQUILQHSA-N
XLogP4.08
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-2-benzyl-3,3,3-trifluoro-N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 134875491
(2R,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-methylpropan-2-ol
CID 177556163
Ctk0J6719
CID 10661477
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-amine
CID 14168767
(2S,3E)-2-benzyl-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]iminopropan-2-ol
CID 11730554
(2R,3E)-2-benzyl-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]iminopropan-2-ol
CID 15852817
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-imine
CID 10868593
dimethyl 2-[(1E,2R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-3-methylbutan-2-yl]propanedioate
CID 10939763
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 13329770

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine (CID 11416880) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine is COC[C@@H]1CCCN1/N=C/[C@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine?
The InChIKey is RFDZGYPCRAXZSN-WCQUILQHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-25-18-22-13-8-14-24(22)23-15-21(20-11-6-3-7-12-20)17-26-16-19-9-4-2-5-10-19/h2-7,9-12,15,21-22H,8,13-14,16-18H2,1H3/b23-15+/t21-,22+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine has a molecular weight of 352.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-3-phenylmethoxypropan-1-imine is sourced from PubChem (CID 11416880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).