(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine

C20H24N2O — CID 11758645

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-16-19-13-8-14-22(19)21-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3/b21-20+/t19-/m0/s1
InChIKeyPLSCEAJGCPBUDL-GEXZYOHASA-N
MW308.43 g/mol
LogP3.74
Rot. Bonds6

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine (PubChem CID 11758645) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine
PubChem CID11758645
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine
SMILESCOC[C@@H]1CCCN1/N=C(\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-16-19-13-8-14-22(19)21-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3/b21-20+/t19-/m0/s1
InChIKeyPLSCEAJGCPBUDL-GEXZYOHASA-N
XLogP3.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.74
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 (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine (CID 11758645) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine is COC[C@@H]1CCCN1/N=C(\Cc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine?
The InChIKey is PLSCEAJGCPBUDL-GEXZYOHASA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-16-19-13-8-14-22(19)21-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3/b21-20+/t19-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine has a molecular weight of 308.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine is sourced from PubChem (CID 11758645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).