(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine

C17H26N2O2 — CID 11460487

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@@H](C)COCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-15(12-21-13-16-7-4-3-5-8-16)11-18-19-10-6-9-17(19)14-20-2/h3-5,7-8,11,15,17H,6,9-10,12-14H2,1-2H3/b18-11+/t15-,17+/m1/s1
InChIKeyBILIZVBEIJXCGC-PCRVIDNCSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds8

About (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine (PubChem CID 11460487) 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-methyl-3-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine
PubChem CID11460487
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@@H](C)COCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-15(12-21-13-16-7-4-3-5-8-16)11-18-19-10-6-9-17(19)14-20-2/h3-5,7-8,11,15,17H,6,9-10,12-14H2,1-2H3/b18-11+/t15-,17+/m1/s1
InChIKeyBILIZVBEIJXCGC-PCRVIDNCSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine (CID 11460487) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine is COC[C@@H]1CCCN1/N=C/[C@@H](C)COCc1ccccc1.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine?
The InChIKey is BILIZVBEIJXCGC-PCRVIDNCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15(12-21-13-16-7-4-3-5-8-16)11-18-19-10-6-9-17(19)14-20-2/h3-5,7-8,11,15,17H,6,9-10,12-14H2,1-2H3/b18-11+/t15-,17+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylmethoxypropan-1-imine has a molecular weight of 290.41 g/mol, XLogP of 2.94, 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-methyl-3-phenylmethoxypropan-1-imine is sourced from PubChem (CID 11460487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).