N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine

C19H22N2O — CID 91019649

IUPACN-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
SMILESC=NN1CCCC1COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20-21-14-8-13-18(21)15-22-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,1,8,13-15H2
InChIKeyZHKBQDLPUYHTSX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine

N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine (PubChem CID 91019649) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
PubChem CID91019649
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
SMILESC=NN1CCCC1COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20-21-14-8-13-18(21)15-22-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,1,8,13-15H2
InChIKeyZHKBQDLPUYHTSX-UHFFFAOYSA-N
XLogP3.87
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.87
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

Pyrrolidine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024524
3-(2-Benzhydryloxy-ethylidene)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44351284
US9963444, Example 104
CID 118524751
US9963444, Example 105
CID 118528872
Perastine
CID 411828
(1S,5R)-3-(2-benzhydryloxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
CID 11727342
3-(2-Benzhydryloxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane;hydrobromide
CID 49860041
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
Pyrrolidine, 3-(diphenylmethoxy)-1-methyl-, hydrochloride
CID 201591
3-(Diphenylmethoxy)-1-propylpyrrolidine
CID 3025176
Pyrrolidine, 1-butyl-3-(diphenylmethoxy)-
CID 3025266
1-tert-Butyl-3-(diphenylmethoxy)pyrrolidine--hydrogen chloride (1/1)
CID 3025357

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine (CID 91019649) is N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine is C=NN1CCCC1COC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is ZHKBQDLPUYHTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-21-14-8-13-18(21)15-22-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,1,8,13-15H2.
What are the key properties of N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine?
N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 294.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 91019649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).