(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine

C19H22N2O2 — CID 11461066

IUPAC(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine
SMILESCC1CC/C(=N\OCc2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-16-12-13-19(20-22-14-17-8-4-2-5-9-17)21(16)23-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/b20-19+
InChIKeyYSACDKXIKHANFO-FMQUCBEESA-N
MW310.40 g/mol
LogP4.13
Rot. Bonds6

About (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine

(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine (PubChem CID 11461066) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine.

Molecular Properties

Compound Name(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine
PubChem CID11461066
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine
SMILESCC1CC/C(=N\OCc2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-16-12-13-19(20-22-14-17-8-4-2-5-9-17)21(16)23-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/b20-19+
InChIKeyYSACDKXIKHANFO-FMQUCBEESA-N
XLogP4.13
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine 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

8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 46881758
(E)-1-[4,4-dimethyl-2-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]-2,2,2-trifluoro-N-phenylmethoxyethanimine
CID 162414087
(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
CID 162414091
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
(Z)-1-(1-methylpyrrolidin-2-yl)-1-phenyl-N-phenylmethoxymethanimine
CID 21106374
1-Phenylmethoxypyrrolidin-2-imine
CID 45091431
5-Phenyl-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 58126491
(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
CID 59788102
1-(Benzyloxy)piperidin-2-imine hydrochloride
CID 67147799
1-Phenylmethoxypiperidin-2-imine
CID 67147800
1-Phenylmethoxypyrrolidin-2-imine;hydrochloride
CID 67148169
3,5-Dibenzyl-4-butyl-5-methyl-1,2,4-oxadiazole
CID 71554327

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine?
The IUPAC name of (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine (CID 11461066) is (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine.
What is the SMILES notation for (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine?
The canonical SMILES for (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine is CC1CC/C(=N\OCc2ccccc2)N1OCc1ccccc1.
What is the InChIKey of (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine?
The InChIKey is YSACDKXIKHANFO-FMQUCBEESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-16-12-13-19(20-22-14-17-8-4-2-5-9-17)21(16)23-15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/b20-19+.
What are the key properties of (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine?
(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine has a molecular weight of 310.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine is sourced from PubChem (CID 11461066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).