(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine

C21H23F3N2O — CID 10571562

IUPAC(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
SMILESFC(F)(F)C(/C=N/N1CCCC1)(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)20(15-18-9-3-1-4-10-18,17-25-26-13-7-8-14-26)27-16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2/b25-17+
InChIKeyMFNXUZFPWVAMMI-KOEQRZSOSA-N
MW376.42 g/mol
LogP4.83
Rot. Bonds7

About (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine

(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine (PubChem CID 10571562) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
PubChem CID10571562
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
SMILESFC(F)(F)C(/C=N/N1CCCC1)(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)20(15-18-9-3-1-4-10-18,17-25-26-13-7-8-14-26)27-16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2/b25-17+
InChIKeyMFNXUZFPWVAMMI-KOEQRZSOSA-N
XLogP4.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine
CID 10613190
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954
(E)-2-benzyl-3,3,3-trifluoro-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10719380
(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10832478
(E)-2-phenylmethoxy-N-pyrrolidin-1-yl-2-(trifluoromethyl)nonan-1-imine
CID 10833916
(E)-2-benzyl-3,3,3-trifluoro-2-methoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10851756
(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
CID 15893171
(E,2S)-3,3,3-trifluoro-N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenyl-2-phenylmethoxypropan-1-imine
CID 15893174
2,2-difluoroethyl (1Z)-N-methylidene-4-(3-pyrrolidin-1-ylpropyl)benzenecarbohydrazonate
CID 145238648

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine (CID 10571562) is (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine is FC(F)(F)C(/C=N/N1CCCC1)(Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is MFNXUZFPWVAMMI-KOEQRZSOSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)20(15-18-9-3-1-4-10-18,17-25-26-13-7-8-14-26)27-16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2/b25-17+.
What are the key properties of (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 376.42 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 10571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).