(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

C15H22N2O3 — CID 11536434

IUPAC(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-18-11-13-5-4-8-17(13)16-10-12-6-7-14(19-2)15(9-12)20-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3/b16-10+/t13-/m0/s1
InChIKeyWEIXOKZISGCFAX-RKPNYOAGSA-N
MW278.35 g/mol
LogP2.15
Rot. Bonds6

About (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (PubChem CID 11536434) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
PubChem CID11536434
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-18-11-13-5-4-8-17(13)16-10-12-6-7-14(19-2)15(9-12)20-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3/b16-10+/t13-/m0/s1
InChIKeyWEIXOKZISGCFAX-RKPNYOAGSA-N
XLogP2.15
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 9627226
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 9642140
N-(Azepan-1-yl)-1-(2H-1,3-benzodioxol-5-yl)methanimine
CID 255907
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-morpholin-4-ylmethanimine
CID 9904574
(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-morpholin-4-ylmethanimine
CID 6902616
(E)-1-(3-methoxy-4-phenylmethoxyphenyl)-N-morpholin-4-ylmethanimine
CID 6902672
2-methoxy-5-[(E)-(morpholin-4-ylimino)methyl]phenol
CID 6903171
5-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenol
CID 9675390
Hydrazinium, 2-(3,4-diethoxybenzylidene)-1,1,1-trimethyl-, iodide
CID 9570977
N-(azepan-1-yl)-1-(2,3-dimethoxyphenyl)methanimine
CID 256056
N-(azepan-1-yl)-1-(3,4-diethoxyphenyl)methanimine
CID 256058
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine
CID 118711351

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (CID 11536434) is (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is COC[C@@H]1CCCN1/N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is WEIXOKZISGCFAX-RKPNYOAGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-11-13-5-4-8-17(13)16-10-12-6-7-14(19-2)15(9-12)20-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3/b16-10+/t13-/m0/s1.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 278.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 11536434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).