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

C14H20N2O — CID 88927756

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C(/C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-4-3-5-8-13)15-16-10-6-9-14(16)11-17-2/h3-5,7-8,14H,6,9-11H2,1-2H3/b15-12-/t14-/m0/s1
InChIKeyRYMXAGFMLFMPAK-UZFBZYOGSA-N
MW232.33 g/mol
LogP2.52
Rot. Bonds4

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

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine (PubChem CID 88927756) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
PubChem CID88927756
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C(/C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-4-3-5-8-13)15-16-10-6-9-14(16)11-17-2/h3-5,7-8,14H,6,9-11H2,1-2H3/b15-12-/t14-/m0/s1
InChIKeyRYMXAGFMLFMPAK-UZFBZYOGSA-N
XLogP2.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine (CID 88927756) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine is COC[C@@H]1CCCN1/N=C(/C)c1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine?
The InChIKey is RYMXAGFMLFMPAK-UZFBZYOGSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(13-7-4-3-5-8-13)15-16-10-6-9-14(16)11-17-2/h3-5,7-8,14H,6,9-11H2,1-2H3/b15-12-/t14-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine has a molecular weight of 232.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine is sourced from PubChem (CID 88927756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).