(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine

C17H26N2O2 — CID 24905695

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
SMILESCC[C@H](/C=N/N1CCC[C@H]1COC)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-17(21-13-15-8-5-4-6-9-15)12-18-19-11-7-10-16(19)14-20-2/h4-6,8-9,12,16-17H,3,7,10-11,13-14H2,1-2H3/b18-12+/t16-,17+/m0/s1
InChIKeyOXEZKAJJOKUCAY-TYUUCJPQSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds8

About (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine (PubChem CID 24905695) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
PubChem CID24905695
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
SMILESCC[C@H](/C=N/N1CCC[C@H]1COC)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-17(21-13-15-8-5-4-6-9-15)12-18-19-11-7-10-16(19)14-20-2/h4-6,8-9,12,16-17H,3,7,10-11,13-14H2,1-2H3/b18-12+/t16-,17+/m0/s1
InChIKeyOXEZKAJJOKUCAY-TYUUCJPQSA-N
XLogP3.08
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-methylpropan-2-ol
CID 177556163
Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CID 10421017
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
CID 25068073
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(E)-3-phenylprop-2-enyl]oxetan-3-imine
CID 73055851
(Z,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxetan-3-imine
CID 73057857
N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
CID 91019649
(E,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-N-pyrrolidin-1-ylethanimine
CID 134875011
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine (CID 24905695) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine is CC[C@H](/C=N/N1CCC[C@H]1COC)OCc1ccccc1.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine?
The InChIKey is OXEZKAJJOKUCAY-TYUUCJPQSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(21-13-15-8-5-4-6-9-15)12-18-19-11-7-10-16(19)14-20-2/h4-6,8-9,12,16-17H,3,7,10-11,13-14H2,1-2H3/b18-12+/t16-,17+/m0/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine has a molecular weight of 290.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine is sourced from PubChem (CID 24905695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).