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

C14H20N2O — CID 10857334

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C/Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-12-14-8-5-11-16(14)15-10-9-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11-12H2,1H3/b15-10+/t14-/m0/s1
InChIKeyTULHHWXEEWXBAB-GWQWUEFDSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds5

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

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine (PubChem CID 10857334) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
PubChem CID10857334
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C/Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-12-14-8-5-11-16(14)15-10-9-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11-12H2,1H3/b15-10+/t14-/m0/s1
InChIKeyTULHHWXEEWXBAB-GWQWUEFDSA-N
XLogP2.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine 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)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 11024637
(2E)-N,N-dibenzyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminoethanamine
CID 11078657
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(E)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 14974113
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
CID 134974124
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 155666015
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-imine
CID 10868593
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 10927540
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(4S)-4-benzyl-3-[(E)-butylideneamino]-1,3-oxazolidin-2-one
CID 11195960
(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11241711

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine (CID 10857334) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine is COC[C@@H]1CCCN1/N=C/Cc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The InChIKey is TULHHWXEEWXBAB-GWQWUEFDSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-12-14-8-5-11-16(14)15-10-9-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11-12H2,1H3/b15-10+/t14-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine has a molecular weight of 232.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine is sourced from PubChem (CID 10857334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).