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

C20H21F3N2O — CID 10832478

IUPAC(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
SMILESFC(F)(F)C(/C=N/N1CCCC1)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)19(18-11-5-2-6-12-18,16-24-25-13-7-8-14-25)26-15-17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2/b24-16+
InChIKeyHUOXBQTZXLVWEX-LFVJCYFKSA-N
MW362.40 g/mol
LogP4.74
Rot. Bonds6

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

(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine (PubChem CID 10832478) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
PubChem CID10832478
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
SMILESFC(F)(F)C(/C=N/N1CCCC1)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)19(18-11-5-2-6-12-18,16-24-25-13-7-8-14-25)26-15-17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2/b24-16+
InChIKeyHUOXBQTZXLVWEX-LFVJCYFKSA-N
XLogP4.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.74
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
(2S,3E)-2-benzyl-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]iminopropan-2-ol
CID 11730554
N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954
(2R,3E)-2-benzyl-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]iminopropan-2-ol
CID 15852817
(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10571562
(E)-2-benzyl-3,3,3-trifluoro-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10719380
(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
(2S,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-phenylpropan-2-ol
CID 10994293

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine (CID 10832478) is (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine is FC(F)(F)C(/C=N/N1CCCC1)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is HUOXBQTZXLVWEX-LFVJCYFKSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)19(18-11-5-2-6-12-18,16-24-25-13-7-8-14-25)26-15-17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-15H2/b24-16+.
What are the key properties of (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine?
(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 362.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 10832478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).