(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

C25H27N2OP — CID 10927540

IUPAC(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N2OP/c1-28-20-22-12-10-18-27(22)26-19-21-11-8-9-17-25(21)29(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-9,11,13-17,19,22H,10,12,18,20H2,1H3/b26-19+/t22-/m0/s1
InChIKeyHWYHRYZQXAYOLA-HLELUFFISA-N
MW402.48 g/mol
LogP3.89
Rot. Bonds7

About (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (PubChem CID 10927540) has the molecular formula C25H27N2OP and a molecular weight of 402.48 g/mol. Its IUPAC name is (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
PubChem CID10927540
Molecular FormulaC25H27N2OP
Molecular Weight402.48 g/mol
Exact Mass402.19
IUPAC Name(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N2OP/c1-28-20-22-12-10-18-27(22)26-19-21-11-8-9-17-25(21)29(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-9,11,13-17,19,22H,10,12,18,20H2,1H3/b26-19+/t22-/m0/s1
InChIKeyHWYHRYZQXAYOLA-HLELUFFISA-N
XLogP3.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (CID 10927540) is (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is COC[C@@H]1CCCN1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is HWYHRYZQXAYOLA-HLELUFFISA-N. The full InChI is InChI=1S/C25H27N2OP/c1-28-20-22-12-10-18-27(22)26-19-21-11-8-9-17-25(21)29(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-9,11,13-17,19,22H,10,12,18,20H2,1H3/b26-19+/t22-/m0/s1.
What are the key properties of (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 402.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 10927540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).