N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine

C19H22N2O — CID 10661477

IUPACN-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
SMILESC=NN1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20-21-15-9-14-18(21)19(22-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,1,9,14-15H2,2H3/t18-/m0/s1
InChIKeyIVEIAAJOFLWEKB-SFHVURJKSA-N
MW294.40 g/mol
LogP3.66
Rot. Bonds5

About N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine

N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine (PubChem CID 10661477) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
PubChem CID10661477
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine
SMILESC=NN1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20-21-15-9-14-18(21)19(22-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,1,9,14-15H2,2H3/t18-/m0/s1
InChIKeyIVEIAAJOFLWEKB-SFHVURJKSA-N
XLogP3.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.66
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

(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
CID 10494163
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
2-[methoxy(diphenyl)methyl]-1-tritylaziridine
CID 5249582
(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 101166696
(5R)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989002
(5S)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989001
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 132597649
[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]-diphenylmethoxy]-methyl-diphenylsilane
CID 177392334
(1E,2R,3R)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylhexan-2-ol
CID 134930758
(2S)-2-[methoxy(diphenyl)methyl]-4-methylpyrrolidine
CID 134941319

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine?
The IUPAC name of N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine (CID 10661477) is N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine.
What is the SMILES notation for N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine?
The canonical SMILES for N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine is C=NN1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine?
The InChIKey is IVEIAAJOFLWEKB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-21-15-9-14-18(21)19(22-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,1,9,14-15H2,2H3/t18-/m0/s1.
What are the key properties of N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine?
N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine has a molecular weight of 294.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 10661477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).