(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

C20H25N2OP — CID 10925855

IUPAC(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N2OP/c1-23-17-18-9-8-15-22(18)21-14-16-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-14,18H,8-9,15-17H2,1H3/b21-14+/t18-/m0/s1
InChIKeySMINJBTTYZBTNE-SXZORUHJSA-N
MW340.41 g/mol
LogP3.22
Rot. Bonds7

About (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 10925855) has the molecular formula C20H25N2OP and a molecular weight of 340.41 g/mol. Its IUPAC name is (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID10925855
Molecular FormulaC20H25N2OP
Molecular Weight340.41 g/mol
Exact Mass340.17
IUPAC Name(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N2OP/c1-23-17-18-9-8-15-22(18)21-14-16-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-14,18H,8-9,15-17H2,1H3/b21-14+/t18-/m0/s1
InChIKeySMINJBTTYZBTNE-SXZORUHJSA-N
XLogP3.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 10927540
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
Diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
CID 70877081
CID 10862478
CID 10862478
(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
CID 10862479
CID 10883782
CID 10883782
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
CID 10883783
(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
CID 10959617
CID 10960853
CID 10960853
(Z,3S)-3-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-4-imine
CID 10960854

Frequently Asked Questions

What is the IUPAC name of (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (CID 10925855) is (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is COC[C@@H]1CCCN1/N=C/CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is SMINJBTTYZBTNE-SXZORUHJSA-N. The full InChI is InChI=1S/C20H25N2OP/c1-23-17-18-9-8-15-22(18)21-14-16-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-14,18H,8-9,15-17H2,1H3/b21-14+/t18-/m0/s1.
What are the key properties of (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 340.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 10925855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).