(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine

C19H28N2O4 — CID 46201368

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CC1(c2ccc(OC)cc2)OCCCO1
InChIInChI=1S/C19H28N2O4/c1-22-15-17-5-3-12-21(17)20-11-10-19(24-13-4-14-25-19)16-6-8-18(23-2)9-7-16/h6-9,11,17H,3-5,10,12-15H2,1-2H3/b20-11+/t17-/m0/s1
InChIKeyGHGVJHSEQFZEMZ-PBGVMVHZSA-N
MW348.44 g/mol
LogP2.77
Rot. Bonds7

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine (PubChem CID 46201368) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine
PubChem CID46201368
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CC1(c2ccc(OC)cc2)OCCCO1
InChIInChI=1S/C19H28N2O4/c1-22-15-17-5-3-12-21(17)20-11-10-19(24-13-4-14-25-19)16-6-8-18(23-2)9-7-16/h6-9,11,17H,3-5,10,12-15H2,1-2H3/b20-11+/t17-/m0/s1
InChIKeyGHGVJHSEQFZEMZ-PBGVMVHZSA-N
XLogP2.77
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine
CID 46845712
(1S,8S,8aR)-8-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-1,2,3,5,8,8a-hexahydroindolizine
CID 46845713
[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol
CID 70196911
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
CID 124141453
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
CID 124141601
N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
CID 135149433
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
CID 135149459
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
CID 156085207
N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
CID 156085208
2-[2-[4-[(4-Methoxyphenyl)methoxy]phenyl]ethyl]-3,4-dihydropyrazole
CID 166852187
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
CID 175350658
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methoxy]butan-1-imine
CID 11404430

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine (CID 46201368) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine is COC[C@@H]1CCCN1/N=C/CC1(c2ccc(OC)cc2)OCCCO1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine?
The InChIKey is GHGVJHSEQFZEMZ-PBGVMVHZSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-22-15-17-5-3-12-21(17)20-11-10-19(24-13-4-14-25-19)16-6-8-18(23-2)9-7-16/h6-9,11,17H,3-5,10,12-15H2,1-2H3/b20-11+/t17-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine has a molecular weight of 348.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]ethanimine is sourced from PubChem (CID 46201368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).